data_2klz_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 2klz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.292 0.567 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.0 m-20 -59.36 -34.36 72.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.712 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.02 -53.19 35.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.98 -32.84 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 32.6 mt-10 -68.53 -31.35 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.458 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -56.45 -48.96 75.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 110.499 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 21.2 t70 -75.2 -29.05 60.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.33 -49.96 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.917 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.88 -22.18 61.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.168 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 2.8 tmm_? -63.06 -50.34 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.16 78.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.6 mt -61.61 -51.3 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.498 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -62.35 -35.22 78.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.303 0.573 . . . . 0.0 110.531 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 8.7 tt -59.36 -51.16 71.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.963 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -67.85 -25.59 65.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 16.4 mtp180 -60.08 -46.51 89.35 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.488 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 1.1 pp0? -81.11 -22.8 38.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.6 mt-10 -59.88 -54.07 50.47 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.082 0.468 . . . . 0.0 110.28 173.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 27' ' ' GLU . 2.1 mp -79.68 -75.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.019 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 36.67 60.61 0.92 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.988 0.805 . . . . 0.0 110.959 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.54 ' HG3' ' OD2' ' A' ' 25' ' ' ASP . 33.7 tpp -144.16 117.62 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.386 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -91.84 58.6 3.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.54 ' OD2' ' HG3' ' A' ' 23' ' ' MET . 1.0 OUTLIER -138.89 -101.3 0.17 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.688 174.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -87.18 -40.94 14.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HA ' HD11 ' A' ' 30' ' ' LEU . 43.9 mt-10 -60.52 -23.02 64.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.599 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -22.89 48.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.03 -43.79 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 27' ' ' GLU . 6.5 mp -64.4 -39.89 94.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.336 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.69 -44.98 77.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.337 174.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -67.68 -28.69 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.404 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.57 75.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.23 -42.94 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.572 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 8.2 tt0 -60.39 -43.93 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.886 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.9 tm? -58.89 -46.54 87.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.105 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.413 ' N ' HD12 ' A' ' 36' ' ' LEU . 24.1 m -62.42 -38.17 88.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.048 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 ttt -67.49 -25.27 65.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 53.2 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.761 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.076 0.465 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 2.1 m-20 -57.37 -34.63 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.457 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.75 -44.02 90.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.729 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.81 -33.5 46.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.063 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -52.92 -43.5 66.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.526 175.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.41 -37.08 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.35 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -76.12 -39.59 54.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.7 tm? -64.06 -48.28 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.864 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -64.97 -33.58 76.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.382 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.5 -50.3 74.11 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.55 65.56 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.362 0.414 . . . . 0.0 111.843 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 38' ' ' MET . 93.4 mt -68.19 -53.55 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.528 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.82 84.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 6.7 tt -56.48 -52.3 65.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.866 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.9 t -57.14 -35.19 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.217 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -73.04 -40.33 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -78.85 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.977 0.418 . . . . 0.0 110.39 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.4 mm-40 -63.26 -60.89 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.029 172.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -132.24 102.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.131 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.2 17.06 11.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 tpt -73.66 118.48 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.736 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.794 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 53.2 mt-10 -85.66 72.87 10.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.619 . . . . 0.0 111.321 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 26' ' ' GLU . 19.4 t70 -139.62 -136.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' H ' ' CG ' ' A' ' 25' ' ' ASP . 21.3 mm-40 -61.72 -28.39 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 110.089 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 79.0 mm-40 -62.25 -31.74 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.734 174.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 24' ' ' GLU . . . -67.51 -26.79 66.52 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.843 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.3 -45.92 87.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.0 110.396 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.15 -41.6 94.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.2 mmt180 -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -73.24 -39.44 65.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.35 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.49 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 0.0 109.996 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.01 -37.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.037 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -60.91 -37.82 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.375 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -73.5 -49.55 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.729 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' HD12 ' A' ' 36' ' ' LEU . 29.5 t -66.85 -10.59 49.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.867 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.529 ' HA ' HD12 ' A' ' 14' ' ' LEU . 62.7 ttp -76.67 -25.59 53.87 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.132 0.491 . . . . 0.0 110.517 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.222 -179.411 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 CA--C 1.517 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.0 m-20 -70.74 -33.85 71.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.118 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 3.4 mm-40 -47.05 -52.6 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.854 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.78 -24.5 23.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.984 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -55.18 -51.91 65.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.096 0.474 . . . . 0.0 110.702 -177.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.29 -43.12 96.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.516 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.91 -26.03 48.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.021 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.97 -47.99 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -59.05 -43.95 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 109.751 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.06 -47.49 80.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.628 176.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.52 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.1 -52.69 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.437 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -67.26 -24.76 65.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 6.3 tt -61.13 -55.11 36.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.86 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 m -65.62 -30.99 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.091 0.472 . . . . 0.0 110.701 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 66.3 mtp180 -64.17 -49.11 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.983 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.89 -6.87 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.109 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 59.3 mt-10 -88.02 -19.9 26.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.284 174.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 21' ' ' ILE . 2.0 mp 55.08 79.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.964 0.887 . . . . 0.0 109.764 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' HD3' ' A' ' 31' ' ' ARG . 10.6 p-10 -80.99 80.59 7.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.07 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 tpt -132.14 125.48 31.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.472 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' HB3' ' CD ' ' A' ' 27' ' ' GLU . 10.2 tp10 -173.13 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.27 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -140.14 -76.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.194 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.3 -31.24 43.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.776 ' HA ' HD11 ' A' ' 30' ' ' LEU . 1.5 pm0 -67.12 -24.55 65.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.284 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -21.2 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.552 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.88 -31.96 51.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.168 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 27' ' ' GLU . 8.5 mp -66.47 -42.63 87.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.577 ' NH1' ' HA ' ' A' ' 18' ' ' ARG . 11.6 tpt180 -53.98 -45.79 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.294 174.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.47 -39.99 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.552 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.47 -39.39 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.02 -38.16 87.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.438 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD12 ' C ' ' A' ' 36' ' ' LEU . 2.0 tm? -74.35 -48.42 28.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.223 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.442 ' N ' HD12 ' A' ' 36' ' ' LEU . 37.4 t -63.58 -10.12 16.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.693 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.95 -30.92 69.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.925 0.393 . . . . 0.0 110.644 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.214 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.4 m-20 -61.81 -32.21 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.86 -55.11 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.449 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -75.84 -33.38 60.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.95 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -51.47 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.471 0.482 . . . . 0.0 112.026 -174.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 111.809 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.37 -46.41 49.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.98 -45.5 85.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.64 -35.3 79.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.105 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.12 -43.05 83.38 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.53 70.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.575 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 38' ' ' MET . 77.4 mt -64.96 -50.91 64.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.329 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.27 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.445 0.641 . . . . 0.0 110.368 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.612 ' HA ' HE21 ' A' ' 19' ' ' GLN . 6.6 tt -54.41 -54.42 40.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.231 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -62.68 -30.51 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.529 ' HG3' HG21 ' A' ' 34' ' ' ILE . 27.9 mtp180 -65.15 -57.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.612 HE21 ' HA ' ' A' ' 16' ' ' LEU . 28.8 pt20 -65.95 -27.47 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.348 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.45 -41.02 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.704 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.484 ' C ' ' H ' ' A' ' 23' ' ' MET . 47.6 mm -74.92 -70.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.459 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.56 -40.63 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.127 0.892 . . . . 0.0 111.9 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.484 ' H ' ' C ' ' A' ' 21' ' ' ILE . 10.3 tpt -54.91 108.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.871 0.868 . . . . 0.0 112.039 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.69 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 41.2 mt-10 -87.86 45.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 111.061 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.77 -114.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.32 -34.75 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.87 -23.96 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.733 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 24' ' ' GLU . . . -60.28 -18.31 48.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.857 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.27 -34.72 68.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 0.0 109.903 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.66 -35.7 70.42 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.3 tpt180 -56.89 -46.62 81.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.665 171.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -59.76 -45.42 92.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.862 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.16 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.483 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 18' ' ' ARG . 1.4 mp -68.96 -38.75 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.144 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 12.3 mm-40 -65.23 -35.37 80.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.217 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 36' ' ' LEU . 2.1 tm? -69.01 -47.75 64.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.561 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.426 ' N ' HD12 ' A' ' 36' ' ' LEU . 12.8 t -62.38 -35.44 79.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 14' ' ' LEU . 26.4 ttt -59.41 -35.36 73.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 121.024 0.44 . . . . 0.0 110.268 176.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.928 173.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.79 -50.58 0.14 Allowed 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.2 -44.33 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.655 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.48 -34.74 74.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.57 -39.66 88.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.106 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.66 -31.23 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.618 0.247 . . . . 0.0 110.335 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.17 -46.48 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.6 tm? -62.96 -49.37 74.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.815 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' OE1' HD12 ' A' ' 14' ' ' LEU . 23.7 mm-40 -62.15 -31.87 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.749 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 17.2 tpp180 -63.67 -53.16 55.69 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.872 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.345 0.403 . . . . 0.0 111.127 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 65.4 mt -66.98 -53.6 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.83 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.63 72.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.261 0.553 . . . . 0.0 110.486 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 tt -60.96 -52.77 63.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -58.07 -27.18 63.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.367 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 14' ' ' LEU . 25.9 mmm180 -69.78 -55.16 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.75 -26.09 65.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.441 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -60.29 -55.94 27.56 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 111.367 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.3 mm -117.97 -78.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -173.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t0 54.02 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.405 0.622 . . . . 0.0 110.243 -170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ttm -164.94 -178.43 5.2 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.21 63.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.474 0.654 . . . . 0.0 111.89 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.864 ' H ' ' HB3' ' A' ' 28' ' ' ALA . 2.2 p30 -116.58 -165.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.619 172.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -59.82 -52.02 67.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.79 -29.59 29.48 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 110.625 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.864 ' HB3' ' H ' ' A' ' 25' ' ' ASP . . . -65.29 -23.17 66.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.909 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.6 -36.21 78.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.083 0.468 . . . . 0.0 110.223 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.01 -40.75 95.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -65.58 -31.46 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.029 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.21 -34.3 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.009 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.22 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.441 HG13 HD23 ' A' ' 14' ' ' LEU . 1.5 mp -65.76 -36.84 78.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.599 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.79 -37.15 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.928 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -64.71 -47.0 79.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.174 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.436 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.6 p -63.56 -11.84 27.88 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.0 mtt -76.29 -29.44 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.526 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.433 -178.06 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.0 -40.3 63.7 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.665 0.603 . . . . 0.0 111.569 -175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -50.04 -58.54 5.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.127 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.81 -31.18 64.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.662 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.42 -40.99 89.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.949 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.284 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.4 -42.31 92.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.357 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.4 mt -65.33 -46.32 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.485 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.33 -27.03 66.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.672 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.48 -45.23 88.25 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.9 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.716 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.67 ' HG ' HG13 ' A' ' 34' ' ' ILE . 5.2 mp -60.56 -53.77 53.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.835 176.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -71.25 -28.49 64.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.94 -52.74 62.82 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -64.6 -29.97 70.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 13.4 ptt180 -75.31 -29.77 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.664 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -89.82 -23.52 21.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' C ' HD12 ' A' ' 21' ' ' ILE . 15.6 mm-40 -79.19 -35.89 41.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.001 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.409 HD12 ' C ' ' A' ' 20' ' ' GLU . 2.1 mp -116.53 113.63 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.249 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -108.44 47.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.912 0.863 . . . . 0.0 108.884 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 25' ' ' ASP . 28.4 ttt -105.84 134.05 49.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.712 -174.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 16.2 tp10 -116.42 58.4 0.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.524 0.678 . . . . 0.0 109.859 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.479 ' HB2' ' HE3' ' A' ' 23' ' ' MET . 0.3 OUTLIER -103.73 -148.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.57 179.359 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.97 -20.93 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.415 0.626 . . . . 0.0 109.906 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -23.43 42.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.011 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.602 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . . . -57.81 -24.06 55.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.278 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.32 -42.86 87.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.318 0.58 . . . . 0.0 109.854 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.6 -33.3 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.602 ' HG2' ' HA ' ' A' ' 28' ' ' ALA . 24.5 mmt180 -65.51 -37.4 86.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 27.6 ttt85 -67.57 -33.4 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.032 176.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.9 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.67 HG13 ' HG ' ' A' ' 14' ' ' LEU . 1.2 mp -66.91 -41.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.63 -35.76 79.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.35 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -69.22 -44.16 72.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.858 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 36' ' ' LEU . 30.3 t -59.57 -26.97 65.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.659 176.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.0 ttt -80.23 -46.38 16.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.462 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.479 177.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.921 -173.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.93 -38.44 88.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.86 -41.7 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.599 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 4.8 mm-40 -57.01 -32.3 65.99 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.663 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 43.6 mm-40 -59.14 -35.42 73.48 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.057 0.223 . . . . 0.0 111.308 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -78.98 -37.24 39.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.356 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -46.22 82.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.419 0.628 . . . . 0.0 109.955 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -60.52 -36.41 78.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.255 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.66 -43.31 97.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.054 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.966 176.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.53 ' HB3' HG22 ' A' ' 34' ' ' ILE . 98.4 mt -64.83 -51.59 61.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.434 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.49 78.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.092 0.473 . . . . 0.0 110.109 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 8.6 tt -56.85 -51.64 68.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.96 175.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -62.04 -23.68 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 111.171 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.675 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 2.9 ttt180 -84.47 -31.12 24.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.04 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 13.3 pt20 -92.17 -16.04 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.16 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 36.7 mm-40 -47.7 -66.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.272 173.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.6 mm -138.06 95.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.402 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.07 -64.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.897 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 11.9 tpt 36.15 86.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.658 1.224 . . . . 0.0 112.06 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.688 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 7.8 pt-20 -74.66 51.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -170.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.518 ' OD1' ' HG3' ' A' ' 23' ' ' MET . 28.1 p-10 -132.84 -68.9 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.939 -0.476 . . . . 0.0 110.889 172.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' H ' ' CG ' ' A' ' 25' ' ' ASP . 24.0 mm-40 -117.81 -31.76 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.535 0.207 . . . . 0.0 110.937 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.897 ' HB2' ' HB3' ' A' ' 23' ' ' MET . 22.6 mm-40 -62.74 -35.71 80.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 109.944 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.688 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -58.96 -30.46 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.115 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.86 -42.16 97.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.425 0.631 . . . . 0.0 109.823 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.91 -36.82 75.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.565 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.675 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 11.2 mmt180 -67.58 -33.49 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -65.3 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.946 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.73 -29.17 68.34 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.725 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' A' ' 14' ' ' LEU . 1.5 mp -67.68 -40.89 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' SD ' ' A' ' 38' ' ' MET . 17.8 mt-30 -74.17 -18.1 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 177.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -72.04 -45.06 62.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.369 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 m -53.98 -40.49 66.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.318 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.438 ' SD ' ' HA ' ' A' ' 35' ' ' GLN . 3.9 ppp? -104.6 37.94 2.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.362 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 15.5 pt20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.752 0.787 . . . . 0.0 112.099 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--O 1.225 -0.234 0 N-CA-C 111.291 0.108 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.36 -42.95 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.07 -36.97 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 110.84 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -80.95 -34.39 33.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.978 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.05 -47.76 83.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.427 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -56.88 -48.1 78.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.694 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.68 -41.06 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.47 -53.57 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 14' ' ' LEU . 28.2 pt20 -68.75 -29.74 68.21 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.091 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -64.32 -44.39 91.72 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.298 0.374 . . . . 0.0 111.31 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 11' ' ' GLN . 78.1 mt -64.65 -53.21 51.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -65.91 -32.13 73.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.183 0.516 . . . . 0.0 110.335 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 7.0 tt -59.31 -52.46 65.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.313 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 m -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -68.41 -46.09 70.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.712 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -75.52 -10.9 59.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 53.2 mm-40 -73.86 -40.66 63.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 173.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.48 99.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.618 0.723 . . . . 0.0 109.737 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.33 52.66 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.313 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.589 ' HG3' ' H ' ' A' ' 25' ' ' ASP . 44.6 tpp -114.46 151.03 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.79 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.21 6.22 24.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 0.0 111.78 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.589 ' H ' ' HG3' ' A' ' 23' ' ' MET . 36.2 t70 -146.6 136.27 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.972 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 71.22 -18.42 0.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.444 0.698 . . . . 0.0 111.738 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -50.21 -30.05 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.957 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.11 -47.28 71.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.844 0.354 . . . . 0.0 111.229 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.651 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 21.3 m-20 -68.97 -28.51 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.148 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.16 -36.71 72.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.4 mmt180 -62.39 -42.56 99.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.651 ' HD2' ' HA ' ' A' ' 29' ' ' ASP . 95.0 mtt180 -60.65 -29.95 69.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.055 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.1 88.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.95 -38.55 82.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.468 0.651 . . . . 0.0 109.623 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.58 -28.64 68.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.809 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.5 tm? -71.8 -45.16 62.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.077 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.401 ' N ' HD12 ' A' ' 36' ' ' LEU . 14.6 m -56.69 -40.44 75.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.869 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.865 ' HG3' ' HG3' ' A' ' 39' ' ' GLN . 21.8 ptm -91.24 -40.64 11.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.865 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 66.1 mt-30 . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.729 0.299 . . . . 0.0 110.795 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.553 ' H ' HD21 ' A' ' 3' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 121.416 0.626 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.7 -37.04 77.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.446 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.34 -47.59 84.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.281 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.22 -39.35 89.54 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.35 -46.26 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.014 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HA ' HE21 ' A' ' 11' ' ' GLN . 38.1 mt-10 -66.45 -42.96 86.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.56 -36.93 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.705 0.288 . . . . 0.0 110.77 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.14 -54.66 22.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.175 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.715 HE21 ' HA ' ' A' ' 8' ' ' GLU . 29.5 pt20 -62.97 -29.66 70.98 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.74 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.09 -52.71 62.8 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.262 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.68 63.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.298 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HB3' HG22 ' A' ' 34' ' ' ILE . 86.1 mt -70.01 -49.02 55.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -62.37 -39.03 91.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.469 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.85 -46.97 88.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.631 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.468 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 11.4 p -70.75 -23.84 62.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 0.0 111.126 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 31.4 mtp-105 -61.89 -41.08 97.47 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 9.9 mm100 -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.876 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 19.8 mm-40 -60.6 -34.84 74.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.838 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.5 mm -88.53 -77.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.697 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 3.6 t70 40.91 51.47 3.2 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.019 0.824 . . . . 0.0 111.417 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.667 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 22.2 ttm -135.35 -175.78 4.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 23' ' ' MET . 9.0 pt-20 -126.99 -28.73 2.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 -155.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.9 -97.95 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.806 1.184 . . . . 0.0 111.74 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -79.49 -32.66 42.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.716 0.77 . . . . 0.0 109.412 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 23' ' ' MET . 1.9 mp0 -58.4 -32.21 68.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.915 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.84 75.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.311 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' ARG . 33.6 t70 -66.81 -30.11 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 110.819 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -51.98 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.513 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 12.0 ttp180 -66.6 -29.52 69.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.882 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 37.6 ttm180 -60.0 -45.28 93.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.395 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.5 80.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 14' ' ' LEU . 1.7 mp -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.157 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.11 -28.86 66.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.133 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.9 tm? -65.12 -46.81 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.424 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.5 p -67.19 -13.74 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.643 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.4 mtt -85.61 -61.09 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.248 179.339 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 5.0 mp . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 122.122 0.963 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.9 m-20 -60.36 -37.02 79.38 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.368 -1.742 . . . . 0.0 111.107 -178.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -55.32 -36.9 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.29 -41.03 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.504 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 39.1 mt-10 -57.46 -40.61 78.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.055 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.19 -45.7 90.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.678 0.275 . . . . 0.0 111.127 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.37 -30.07 63.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.05 0.453 . . . . 0.0 110.636 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -50.27 67.53 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 77.8 mt-30 -63.55 -35.48 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -58.1 -47.34 83.52 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.317 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.47 84.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.4 . . . . 0.0 111.038 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.3 mt -65.34 -50.41 65.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . . . -66.64 -33.86 76.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.487 . . . . 0.0 110.67 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.562 ' HA ' HE21 ' A' ' 19' ' ' GLN . 8.7 tt -57.36 -50.91 71.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.603 ' O ' HG12 ' A' ' 21' ' ' ILE . 25.3 t -64.05 -29.28 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 58.9 mtt180 -64.25 -47.28 80.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 110.971 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.562 HE21 ' HA ' ' A' ' 16' ' ' LEU . 30.2 pt20 -74.32 -12.41 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.063 0.459 . . . . 0.0 110.508 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 45.4 mm-40 -81.37 -18.29 46.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.571 175.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 17' ' ' SER . 47.0 mm -78.01 -82.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.193 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 37.71 55.57 1.52 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.929 0.768 . . . . 0.0 110.735 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 45.1 ttm -119.43 157.41 28.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.906 -171.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -89.57 -37.6 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 27' ' ' GLU . 31.4 t70 -125.66 153.83 43.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.645 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 43.8 mt-10 72.71 -18.75 0.33 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.329 0.652 . . . . 0.0 112.258 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 23' ' ' MET . 1.8 pp20? -53.66 -26.75 23.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.5 84.17 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.334 0.396 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.71 -46.59 71.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.897 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.61 -39.8 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.504 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -60.54 -46.83 88.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.103 0.478 . . . . 0.0 109.739 175.723 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -61.06 -39.18 88.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.021 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.44 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.26 -39.38 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.205 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 27.4 mt-30 -70.19 -37.08 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -37.68 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.879 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.6 m -63.0 -11.1 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.323 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.87 -3.7 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 . . . . . 0 C--O 1.235 0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.089 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -78.56 102.35 7.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.104 0.478 . . . . 0.0 110.409 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.22 -31.63 49.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.655 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.0 m-20 -59.36 -34.36 72.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.712 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.02 -53.19 35.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.98 -32.84 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 32.6 mt-10 -68.53 -31.35 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.458 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -56.45 -48.96 75.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 110.499 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 21.2 t70 -75.2 -29.05 60.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.33 -49.96 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.917 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.88 -22.18 61.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.168 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 2.8 tmm_? -63.06 -50.34 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.16 78.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.6 mt -61.61 -51.3 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.498 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -62.35 -35.22 78.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.303 0.573 . . . . 0.0 110.531 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 8.7 tt -59.36 -51.16 71.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.963 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -67.85 -25.59 65.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 16.4 mtp180 -60.08 -46.51 89.35 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.488 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 1.1 pp0? -81.11 -22.8 38.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.6 mt-10 -59.88 -54.07 50.47 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.082 0.468 . . . . 0.0 110.28 173.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 27' ' ' GLU . 2.1 mp -79.68 -75.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.019 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 36.67 60.61 0.92 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.988 0.805 . . . . 0.0 110.959 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.54 ' HG3' ' OD2' ' A' ' 25' ' ' ASP . 33.7 tpp -144.16 117.62 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.386 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -91.84 58.6 3.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.54 ' OD2' ' HG3' ' A' ' 23' ' ' MET . 1.0 OUTLIER -138.89 -101.3 0.17 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.688 174.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -87.18 -40.94 14.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HA ' HD11 ' A' ' 30' ' ' LEU . 43.9 mt-10 -60.52 -23.02 64.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.599 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.71 -22.89 48.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.03 -43.79 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 27' ' ' GLU . 6.5 mp -64.4 -39.89 94.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.336 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.69 -44.98 77.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.337 174.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -67.68 -28.69 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.404 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.57 75.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.23 -42.94 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.572 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 8.2 tt0 -60.39 -43.93 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.886 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.9 tm? -58.89 -46.54 87.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.105 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.413 ' N ' HD12 ' A' ' 36' ' ' LEU . 24.1 m -62.42 -38.17 88.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.048 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 ttt -67.49 -25.27 65.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 53.2 mt-30 -73.73 -3.48 28.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.761 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.74 23.83 77.49 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.225 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 m -100.57 114.36 27.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.083 -177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 m -103.49 -149.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.201 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 9.78 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.081 -0.387 . . . . 0.0 111.538 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -83.28 75.73 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 109.973 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.27 -47.69 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.088 0.47 . . . . 0.0 110.563 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.486 -0.768 . . . . 0.0 109.652 179.291 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.912 -0.475 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -147.32 -42.87 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.659 0.266 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.63 -21.47 60.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.33 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 2.1 m-20 -57.37 -34.63 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.457 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.75 -44.02 90.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.729 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.81 -33.5 46.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.063 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -52.92 -43.5 66.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.526 175.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.41 -37.08 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.35 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -76.12 -39.59 54.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.7 tm? -64.06 -48.28 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.864 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -64.97 -33.58 76.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.382 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.5 -50.3 74.11 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.55 65.56 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.362 0.414 . . . . 0.0 111.843 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 38' ' ' MET . 93.4 mt -68.19 -53.55 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.528 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.82 84.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 6.7 tt -56.48 -52.3 65.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.866 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.9 t -57.14 -35.19 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.217 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -73.04 -40.33 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -78.85 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.977 0.418 . . . . 0.0 110.39 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.4 mm-40 -63.26 -60.89 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.029 172.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -132.24 102.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.131 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.2 17.06 11.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 tpt -73.66 118.48 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.736 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.794 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 53.2 mt-10 -85.66 72.87 10.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.619 . . . . 0.0 111.321 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 26' ' ' GLU . 19.4 t70 -139.62 -136.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' H ' ' CG ' ' A' ' 25' ' ' ASP . 21.3 mm-40 -61.72 -28.39 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 110.089 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 79.0 mm-40 -62.25 -31.74 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.734 174.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB3' ' HA ' ' A' ' 24' ' ' GLU . . . -67.51 -26.79 66.52 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.843 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.3 -45.92 87.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.0 110.396 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.15 -41.6 94.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.2 mmt180 -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -73.24 -39.44 65.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.35 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.49 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 0.0 109.996 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.01 -37.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.037 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -60.91 -37.82 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.375 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -73.5 -49.55 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.729 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' HD12 ' A' ' 36' ' ' LEU . 29.5 t -66.85 -10.59 49.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.867 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.529 ' HA ' HD12 ' A' ' 14' ' ' LEU . 62.7 ttp -76.67 -25.59 53.87 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.132 0.491 . . . . 0.0 110.517 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -109.35 168.51 9.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.222 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 9.64 14.71 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.091 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -88.88 35.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.46 0.647 . . . . 0.0 110.448 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -133.56 122.42 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.942 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.28 29.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -167.91 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.3 tp -166.96 -54.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.045 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.306 -178.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -118.37 105.24 11.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.72 0.295 . . . . 0.0 110.811 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mp -106.82 -64.17 1.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.585 0.707 . . . . 0.0 109.469 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.0 m-20 -70.74 -33.85 71.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.118 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 3.4 mm-40 -47.05 -52.6 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.854 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.78 -24.5 23.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.984 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -55.18 -51.91 65.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.096 0.474 . . . . 0.0 110.702 -177.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.29 -43.12 96.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.516 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.91 -26.03 48.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.021 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.97 -47.99 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -59.05 -43.95 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 109.751 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.06 -47.49 80.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.628 176.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.52 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.1 -52.69 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.437 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -67.26 -24.76 65.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 6.3 tt -61.13 -55.11 36.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.86 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 m -65.62 -30.99 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.091 0.472 . . . . 0.0 110.701 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 66.3 mtp180 -64.17 -49.11 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.983 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.89 -6.87 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.109 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 59.3 mt-10 -88.02 -19.9 26.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.284 174.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 21' ' ' ILE . 2.0 mp 55.08 79.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.964 0.887 . . . . 0.0 109.764 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' OD1' ' HD3' ' A' ' 31' ' ' ARG . 10.6 p-10 -80.99 80.59 7.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.07 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 tpt -132.14 125.48 31.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.472 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' HB3' ' CD ' ' A' ' 27' ' ' GLU . 10.2 tp10 -173.13 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.27 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -140.14 -76.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.194 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.3 -31.24 43.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.776 ' HA ' HD11 ' A' ' 30' ' ' LEU . 1.5 pm0 -67.12 -24.55 65.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.284 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -21.2 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.552 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.88 -31.96 51.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.168 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 27' ' ' GLU . 8.5 mp -66.47 -42.63 87.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.577 ' NH1' ' HA ' ' A' ' 18' ' ' ARG . 11.6 tpt180 -53.98 -45.79 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.294 174.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.47 -39.99 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.552 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.47 -39.39 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.02 -38.16 87.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.438 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD12 ' C ' ' A' ' 36' ' ' LEU . 2.0 tm? -74.35 -48.42 28.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.223 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.442 ' N ' HD12 ' A' ' 36' ' ' LEU . 37.4 t -63.58 -10.12 16.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.693 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.95 -30.92 69.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.925 0.393 . . . . 0.0 110.644 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -103.76 155.3 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.214 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.78 110.12 3.23 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.603 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -73.31 61.64 0.66 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.476 0.655 . . . . 0.0 112.182 -175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -139.35 -20.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.997 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -146.99 170.05 17.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.676 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 58.36 72.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.69 0.757 . . . . 0.0 110.574 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 45' ' ' LEU . 2.6 pt? -82.51 -15.43 52.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.823 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.429 -179.429 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -128.73 22.11 5.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.156 0.503 . . . . 0.0 110.43 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.13 -9.31 58.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.557 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.4 m-20 -61.81 -32.21 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.86 -55.11 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.449 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -75.84 -33.38 60.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.95 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -51.47 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.471 0.482 . . . . 0.0 112.026 -174.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 111.809 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.37 -46.41 49.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.98 -45.5 85.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.64 -35.3 79.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.105 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.12 -43.05 83.38 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.53 70.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.575 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 38' ' ' MET . 77.4 mt -64.96 -50.91 64.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.329 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.27 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.445 0.641 . . . . 0.0 110.368 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.612 ' HA ' HE21 ' A' ' 19' ' ' GLN . 6.6 tt -54.41 -54.42 40.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.231 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -62.68 -30.51 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.529 ' HG3' HG21 ' A' ' 34' ' ' ILE . 27.9 mtp180 -65.15 -57.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.612 HE21 ' HA ' ' A' ' 16' ' ' LEU . 28.8 pt20 -65.95 -27.47 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.348 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.45 -41.02 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.704 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.484 ' C ' ' H ' ' A' ' 23' ' ' MET . 47.6 mm -74.92 -70.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.459 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.56 -40.63 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.127 0.892 . . . . 0.0 111.9 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.484 ' H ' ' C ' ' A' ' 21' ' ' ILE . 10.3 tpt -54.91 108.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.871 0.868 . . . . 0.0 112.039 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.69 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 41.2 mt-10 -87.86 45.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 111.061 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.77 -114.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.32 -34.75 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.87 -23.96 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.733 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 24' ' ' GLU . . . -60.28 -18.31 48.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.857 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.27 -34.72 68.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 0.0 109.903 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.66 -35.7 70.42 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.3 tpt180 -56.89 -46.62 81.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.665 171.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -59.76 -45.42 92.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.862 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.16 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.483 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 18' ' ' ARG . 1.4 mp -68.96 -38.75 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.144 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 12.3 mm-40 -65.23 -35.37 80.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.217 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 36' ' ' LEU . 2.1 tm? -69.01 -47.75 64.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.561 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.426 ' N ' HD12 ' A' ' 36' ' ' LEU . 12.8 t -62.38 -35.44 79.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 14' ' ' LEU . 26.4 ttt -59.41 -35.36 73.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 121.024 0.44 . . . . 0.0 110.268 176.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -73.79 -66.09 0.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.928 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.4 85.28 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.422 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 p -131.65 20.44 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.053 0.454 . . . . 0.0 110.946 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m -103.94 80.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.606 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -80.86 74.33 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.107 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -150.8 12.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.666 0.746 . . . . 0.0 109.558 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.3 71.56 1.38 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.388 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -177.253 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -157.46 -86.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp -117.96 -96.93 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.79 -50.58 0.14 Allowed 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.2 -44.33 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.655 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.48 -34.74 74.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.57 -39.66 88.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.106 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.66 -31.23 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.618 0.247 . . . . 0.0 110.335 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.17 -46.48 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.6 tm? -62.96 -49.37 74.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.815 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' OE1' HD12 ' A' ' 14' ' ' LEU . 23.7 mm-40 -62.15 -31.87 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.749 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 17.2 tpp180 -63.67 -53.16 55.69 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.872 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.345 0.403 . . . . 0.0 111.127 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 65.4 mt -66.98 -53.6 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.83 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.63 72.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.261 0.553 . . . . 0.0 110.486 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 tt -60.96 -52.77 63.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -58.07 -27.18 63.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.367 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 14' ' ' LEU . 25.9 mmm180 -69.78 -55.16 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.75 -26.09 65.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.441 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -60.29 -55.94 27.56 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 111.367 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.3 mm -117.97 -78.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -173.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t0 54.02 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.405 0.622 . . . . 0.0 110.243 -170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ttm -164.94 -178.43 5.2 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.21 63.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.474 0.654 . . . . 0.0 111.89 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.864 ' H ' ' HB3' ' A' ' 28' ' ' ALA . 2.2 p30 -116.58 -165.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.619 172.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -59.82 -52.02 67.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.79 -29.59 29.48 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 110.625 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.864 ' HB3' ' H ' ' A' ' 25' ' ' ASP . . . -65.29 -23.17 66.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.909 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.6 -36.21 78.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.083 0.468 . . . . 0.0 110.223 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.01 -40.75 95.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -65.58 -31.46 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.029 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.21 -34.3 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.009 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.22 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.441 HG13 HD23 ' A' ' 14' ' ' LEU . 1.5 mp -65.76 -36.84 78.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.599 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.79 -37.15 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.928 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -64.71 -47.0 79.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.174 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.436 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.6 p -63.56 -11.84 27.88 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.0 mtt -76.29 -29.44 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.526 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -126.71 82.85 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.433 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 66.53 2.76 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.055 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 t -144.6 60.77 1.33 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.408 0.623 . . . . 0.0 110.15 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -79.97 100.91 8.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -147.6 21.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -148.99 -69.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.061 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -77.83 -61.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.751 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.411 178.419 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.158 -0.377 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -117.95 -178.56 3.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp 59.93 -95.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.442 0.464 . . . . 0.0 111.472 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.0 -40.3 63.7 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.665 0.603 . . . . 0.0 111.569 -175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -50.04 -58.54 5.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.127 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.81 -31.18 64.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.662 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.42 -40.99 89.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.949 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.284 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.4 -42.31 92.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.357 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.4 mt -65.33 -46.32 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.485 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.33 -27.03 66.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.672 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.48 -45.23 88.25 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.9 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.716 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.67 ' HG ' HG13 ' A' ' 34' ' ' ILE . 5.2 mp -60.56 -53.77 53.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.835 176.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -71.25 -28.49 64.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.94 -52.74 62.82 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -64.6 -29.97 70.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 13.4 ptt180 -75.31 -29.77 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.664 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -89.82 -23.52 21.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' C ' HD12 ' A' ' 21' ' ' ILE . 15.6 mm-40 -79.19 -35.89 41.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.001 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.409 HD12 ' C ' ' A' ' 20' ' ' GLU . 2.1 mp -116.53 113.63 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.249 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -108.44 47.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.912 0.863 . . . . 0.0 108.884 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 25' ' ' ASP . 28.4 ttt -105.84 134.05 49.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.712 -174.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 16.2 tp10 -116.42 58.4 0.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.524 0.678 . . . . 0.0 109.859 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.479 ' HB2' ' HE3' ' A' ' 23' ' ' MET . 0.3 OUTLIER -103.73 -148.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.57 179.359 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.97 -20.93 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.415 0.626 . . . . 0.0 109.906 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -23.43 42.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.011 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.602 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . . . -57.81 -24.06 55.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.278 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.32 -42.86 87.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.318 0.58 . . . . 0.0 109.854 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.6 -33.3 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.602 ' HG2' ' HA ' ' A' ' 28' ' ' ALA . 24.5 mmt180 -65.51 -37.4 86.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 27.6 ttt85 -67.57 -33.4 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.032 176.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.9 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.67 HG13 ' HG ' ' A' ' 14' ' ' LEU . 1.2 mp -66.91 -41.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.63 -35.76 79.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.35 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -69.22 -44.16 72.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.858 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 36' ' ' LEU . 30.3 t -59.57 -26.97 65.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.659 176.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.0 ttt -80.23 -46.38 16.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.462 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -113.05 92.98 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.479 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.59 96.23 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.108 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 m -85.59 135.21 33.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -74.12 62.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.166 0.508 . . . . 0.0 110.944 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.581 ' HG3' ' H ' ' A' ' 44' ' ' ASN . 2.6 ptp180 -88.41 -69.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.148 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.581 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 9.9 m120 -104.27 59.93 0.72 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.468 0.651 . . . . 0.0 110.578 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -132.83 155.03 49.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.776 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.914 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.016 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -61.21 1.87 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.2 tp -148.84 -3.52 0.45 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.725 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.921 -173.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.93 -38.44 88.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.86 -41.7 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.599 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 4.8 mm-40 -57.01 -32.3 65.99 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.663 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 43.6 mm-40 -59.14 -35.42 73.48 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.057 0.223 . . . . 0.0 111.308 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -78.98 -37.24 39.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.356 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -46.22 82.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.419 0.628 . . . . 0.0 109.955 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -60.52 -36.41 78.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.255 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.66 -43.31 97.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.054 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.966 176.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.53 ' HB3' HG22 ' A' ' 34' ' ' ILE . 98.4 mt -64.83 -51.59 61.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.434 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.49 78.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.092 0.473 . . . . 0.0 110.109 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 8.6 tt -56.85 -51.64 68.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.96 175.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -62.04 -23.68 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 111.171 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.675 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 2.9 ttt180 -84.47 -31.12 24.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.04 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 13.3 pt20 -92.17 -16.04 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.16 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 36.7 mm-40 -47.7 -66.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.272 173.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.6 mm -138.06 95.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.402 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.07 -64.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.897 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 11.9 tpt 36.15 86.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.658 1.224 . . . . 0.0 112.06 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.688 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 7.8 pt-20 -74.66 51.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -170.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.518 ' OD1' ' HG3' ' A' ' 23' ' ' MET . 28.1 p-10 -132.84 -68.9 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.939 -0.476 . . . . 0.0 110.889 172.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' H ' ' CG ' ' A' ' 25' ' ' ASP . 24.0 mm-40 -117.81 -31.76 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.535 0.207 . . . . 0.0 110.937 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.897 ' HB2' ' HB3' ' A' ' 23' ' ' MET . 22.6 mm-40 -62.74 -35.71 80.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 109.944 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.688 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -58.96 -30.46 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.115 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.86 -42.16 97.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.425 0.631 . . . . 0.0 109.823 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.91 -36.82 75.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.565 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.675 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 11.2 mmt180 -67.58 -33.49 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -65.3 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.946 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.73 -29.17 68.34 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.725 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' A' ' 14' ' ' LEU . 1.5 mp -67.68 -40.89 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' SD ' ' A' ' 38' ' ' MET . 17.8 mt-30 -74.17 -18.1 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 177.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -72.04 -45.06 62.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.369 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 m -53.98 -40.49 66.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.318 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.438 ' SD ' ' HA ' ' A' ' 35' ' ' GLN . 3.9 ppp? -104.6 37.94 2.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.362 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 15.5 pt20 -60.83 100.79 0.12 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.752 0.787 . . . . 0.0 112.099 -175.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.37 -33.16 6.63 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -98.88 107.91 20.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.912 0.387 . . . . 0.0 110.177 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -110.58 42.02 1.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.439 0.638 . . . . 0.0 109.666 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 43' ' ' ARG . 26.5 ttm180 -87.9 -41.8 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.234 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -114.93 59.94 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.773 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -118.72 -30.51 5.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.814 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.654 -179.08 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -104.91 -52.26 2.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.202 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.95 -28.34 25.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.36 -42.95 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.07 -36.97 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 110.84 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -80.95 -34.39 33.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.978 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.05 -47.76 83.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.427 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -56.88 -48.1 78.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.694 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.68 -41.06 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.47 -53.57 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 14' ' ' LEU . 28.2 pt20 -68.75 -29.74 68.21 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.091 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -64.32 -44.39 91.72 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.298 0.374 . . . . 0.0 111.31 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 11' ' ' GLN . 78.1 mt -64.65 -53.21 51.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -65.91 -32.13 73.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.183 0.516 . . . . 0.0 110.335 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 7.0 tt -59.31 -52.46 65.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.313 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 m -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -68.41 -46.09 70.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.712 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -75.52 -10.9 59.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 53.2 mm-40 -73.86 -40.66 63.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 173.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.48 99.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.618 0.723 . . . . 0.0 109.737 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.33 52.66 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.313 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.589 ' HG3' ' H ' ' A' ' 25' ' ' ASP . 44.6 tpp -114.46 151.03 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.79 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.21 6.22 24.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 0.0 111.78 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.589 ' H ' ' HG3' ' A' ' 23' ' ' MET . 36.2 t70 -146.6 136.27 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.972 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 71.22 -18.42 0.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.444 0.698 . . . . 0.0 111.738 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -50.21 -30.05 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.957 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.11 -47.28 71.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.844 0.354 . . . . 0.0 111.229 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.651 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 21.3 m-20 -68.97 -28.51 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.148 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.16 -36.71 72.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.4 mmt180 -62.39 -42.56 99.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.651 ' HD2' ' HA ' ' A' ' 29' ' ' ASP . 95.0 mtt180 -60.65 -29.95 69.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.055 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.1 88.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.95 -38.55 82.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.468 0.651 . . . . 0.0 109.623 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.58 -28.64 68.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.809 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 42' ' ' SER . 1.5 tm? -71.8 -45.16 62.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.077 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.401 ' N ' HD12 ' A' ' 36' ' ' LEU . 14.6 m -56.69 -40.44 75.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.869 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.865 ' HG3' ' HG3' ' A' ' 39' ' ' GLN . 21.8 ptm -91.24 -40.64 11.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.865 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 66.1 mt-30 -115.54 132.2 56.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.729 0.299 . . . . 0.0 110.795 -174.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.2 55.27 5.0 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.17 -38.32 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.024 0.44 . . . . 0.0 109.825 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.538 ' HB3' HD21 ' A' ' 36' ' ' LEU . 46.6 t -78.84 130.27 35.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.777 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -106.38 -10.37 16.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -167.37 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.685 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp 70.26 92.37 0.08 Allowed 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.841 0.713 . . . . 0.0 110.018 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.408 -178.13 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.134 -0.386 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -95.65 73.25 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.181 0.515 . . . . 0.0 110.384 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.553 ' H ' HD21 ' A' ' 3' ' ' LEU . 2.5 pt? -88.71 19.33 4.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.416 0.626 . . . . 0.0 110.26 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.7 -37.04 77.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.446 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.34 -47.59 84.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.281 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.22 -39.35 89.54 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.35 -46.26 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.014 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.715 ' HA ' HE21 ' A' ' 11' ' ' GLN . 38.1 mt-10 -66.45 -42.96 86.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.56 -36.93 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.705 0.288 . . . . 0.0 110.77 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.14 -54.66 22.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.175 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.715 HE21 ' HA ' ' A' ' 8' ' ' GLU . 29.5 pt20 -62.97 -29.66 70.98 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.74 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.09 -52.71 62.8 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.262 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.68 63.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.298 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HB3' HG22 ' A' ' 34' ' ' ILE . 86.1 mt -70.01 -49.02 55.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -62.37 -39.03 91.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.469 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.85 -46.97 88.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.631 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.468 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 11.4 p -70.75 -23.84 62.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 0.0 111.126 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 31.4 mtp-105 -61.89 -41.08 97.47 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 9.9 mm100 -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.876 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 19.8 mm-40 -60.6 -34.84 74.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.838 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.5 mm -88.53 -77.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.697 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 3.6 t70 40.91 51.47 3.2 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.019 0.824 . . . . 0.0 111.417 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.667 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 22.2 ttm -135.35 -175.78 4.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 23' ' ' MET . 9.0 pt-20 -126.99 -28.73 2.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 -155.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.9 -97.95 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.806 1.184 . . . . 0.0 111.74 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -79.49 -32.66 42.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.716 0.77 . . . . 0.0 109.412 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 23' ' ' MET . 1.9 mp0 -58.4 -32.21 68.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.915 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.84 75.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.311 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' ARG . 33.6 t70 -66.81 -30.11 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 110.819 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -51.98 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.513 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 12.0 ttp180 -66.6 -29.52 69.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.882 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 37.6 ttm180 -60.0 -45.28 93.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.395 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.5 80.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 14' ' ' LEU . 1.7 mp -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.157 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.11 -28.86 66.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.133 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 36' ' ' LEU . 1.9 tm? -65.12 -46.81 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.424 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.5 p -67.19 -13.74 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.643 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.4 mtt -85.61 -61.09 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -134.14 124.07 25.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.248 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.22 33.85 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.821 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -118.3 166.97 11.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.131 0.491 . . . . 0.0 110.983 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.892 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 49.1 m -144.56 176.16 9.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.48 -71.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 111.741 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -105.51 44.07 1.07 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.556 0.693 . . . . 0.0 109.443 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.892 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 54.1 tp -147.49 129.25 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.797 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.646 -177.439 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m 59.56 57.97 3.08 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.926 0.49 . . . . 0.0 111.901 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 5.0 mp -103.14 25.06 9.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.122 0.963 . . . . 0.0 109.914 175.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.9 m-20 -60.36 -37.02 79.38 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.368 -1.742 . . . . 0.0 111.107 -178.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -55.32 -36.9 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.29 -41.03 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.504 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 11' ' ' GLN . 39.1 mt-10 -57.46 -40.61 78.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.055 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.19 -45.7 90.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.678 0.275 . . . . 0.0 111.127 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.37 -30.07 63.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.05 0.453 . . . . 0.0 110.636 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -50.27 67.53 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 77.8 mt-30 -63.55 -35.48 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -58.1 -47.34 83.52 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.317 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.47 84.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.4 . . . . 0.0 111.038 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.3 mt -65.34 -50.41 65.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . . . -66.64 -33.86 76.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.487 . . . . 0.0 110.67 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' HA ' HE21 ' A' ' 19' ' ' GLN . 8.7 tt -57.36 -50.91 71.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.603 ' O ' HG12 ' A' ' 21' ' ' ILE . 25.3 t -64.05 -29.28 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 58.9 mtt180 -64.25 -47.28 80.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 110.971 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.562 HE21 ' HA ' ' A' ' 16' ' ' LEU . 30.2 pt20 -74.32 -12.41 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.063 0.459 . . . . 0.0 110.508 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 45.4 mm-40 -81.37 -18.29 46.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.571 175.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 17' ' ' SER . 47.0 mm -78.01 -82.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.193 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 37.71 55.57 1.52 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.929 0.768 . . . . 0.0 110.735 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 45.1 ttm -119.43 157.41 28.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.906 -171.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -89.57 -37.6 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 27' ' ' GLU . 31.4 t70 -125.66 153.83 43.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.645 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 43.8 mt-10 72.71 -18.75 0.33 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.329 0.652 . . . . 0.0 112.258 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 23' ' ' MET . 1.8 pp20? -53.66 -26.75 23.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.5 84.17 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.334 0.396 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.71 -46.59 71.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.897 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.61 -39.8 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.504 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -60.54 -46.83 88.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.103 0.478 . . . . 0.0 109.739 175.723 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -61.06 -39.18 88.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.021 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.44 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.26 -39.38 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.205 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 27.4 mt-30 -70.19 -37.08 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -37.68 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.879 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.6 m -63.0 -11.1 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.323 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.87 -3.7 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -105.14 169.35 8.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.69 -95.99 0.15 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.102 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 p -85.61 70.91 10.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.416 . . . . 0.0 111.943 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 m -62.55 -39.39 93.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.119 0.485 . . . . 0.0 110.463 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 43' ' ' ARG . 23.9 ttt-85 -161.92 22.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.488 0.661 . . . . 0.0 109.77 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 63.6 t30 -143.3 133.67 24.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.119 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 4.1 mm? 70.71 85.55 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.98 0.8 . . . . 0.0 111.184 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.123 -0.941 . . . . 0.0 111.825 177.845 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.292 0.567 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.0 m-20 -59.36 -34.36 72.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.712 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.02 -53.19 35.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.98 -32.84 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 32.6 mt-10 -68.53 -31.35 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.458 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -56.45 -48.96 75.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 110.499 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 21.2 t70 -75.2 -29.05 60.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.33 -49.96 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.917 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.88 -22.18 61.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.168 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 2.8 tmm_? -63.06 -50.34 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.16 78.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.6 mt -61.61 -51.3 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -62.35 -35.22 78.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.303 0.573 . . . . 0.0 110.531 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 8.7 tt -59.36 -51.16 71.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.963 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -67.85 -25.59 65.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 16.4 mtp180 -60.08 -46.51 89.35 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.488 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 1.1 pp0? -81.11 -22.8 38.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.6 mt-10 -59.88 -54.07 50.47 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.082 0.468 . . . . 0.0 110.28 173.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' A' ' 27' ' ' GLU . 2.1 mp -79.68 -75.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.019 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 21' ' ' ILE . 3.8 t70 36.67 60.61 0.92 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.988 0.805 . . . . 0.0 110.959 -173.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.558 ' HG3' ' OD2' ' A' ' 25' ' ' ASP . 33.7 tpp -144.16 117.62 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.386 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 13.5 mm-40 -91.84 58.6 3.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.558 ' OD2' ' HG3' ' A' ' 23' ' ' MET . 1.0 OUTLIER -138.89 -101.3 0.17 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.688 174.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -87.18 -40.94 14.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.566 ' HB3' HG23 ' A' ' 21' ' ' ILE . 43.9 mt-10 -60.52 -23.02 64.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.599 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -57.71 -22.89 48.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.03 -43.79 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.5 mp -64.4 -39.89 94.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.336 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -55.69 -44.98 77.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.337 174.161 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -67.68 -28.69 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.404 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.57 75.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.23 -42.94 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 50.5 tt0 -60.39 -43.93 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.886 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.9 tm? -58.89 -46.54 87.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.105 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -62.42 -38.17 88.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 ttt -67.49 -25.27 65.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 53.2 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.761 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.076 0.465 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 2.1 m-20 -57.37 -34.63 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.457 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.75 -44.02 90.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.729 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.81 -33.5 46.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.063 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -52.92 -43.5 66.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.526 175.294 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.41 -37.08 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.35 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -76.12 -39.59 54.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.7 tm? -64.06 -48.28 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.864 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 14' ' ' LEU . 77.1 mt-30 -64.97 -33.58 76.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.382 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.5 -50.3 74.11 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.55 65.56 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.362 0.414 . . . . 0.0 111.843 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 38' ' ' MET . 93.4 mt -68.19 -53.55 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.528 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.82 84.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.606 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 6.7 tt -56.48 -52.3 65.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.866 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 32.9 t -57.14 -35.19 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.217 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -73.04 -40.33 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -78.85 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.977 0.418 . . . . 0.0 110.39 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.4 mm-40 -63.26 -60.89 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.029 172.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -132.24 102.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.131 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.2 17.06 11.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 tpt -73.66 118.48 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.736 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.809 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 53.2 mt-10 -85.66 72.87 10.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.619 . . . . 0.0 111.321 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -139.62 -136.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.72 -28.39 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 110.089 173.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 79.0 mm-40 -62.25 -31.74 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.734 174.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.809 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -67.51 -26.79 66.52 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.843 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.3 -45.92 87.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.0 110.396 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.15 -41.6 94.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.2 mmt180 -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -73.24 -39.44 65.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.35 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.49 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 0.0 109.996 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.01 -37.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.037 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -60.91 -37.82 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.375 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -73.5 -49.55 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.729 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.5 t -66.85 -10.59 49.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.867 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.535 ' HA ' HD13 ' A' ' 14' ' ' LEU . 62.7 ttp -76.67 -25.59 53.87 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.132 0.491 . . . . 0.0 110.517 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.222 -179.411 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 CA--C 1.517 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.0 m-20 -70.74 -33.85 71.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.118 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -47.05 -52.6 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.854 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.78 -24.5 23.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.984 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -55.18 -51.91 65.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.096 0.474 . . . . 0.0 110.702 -177.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.29 -43.12 96.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.516 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.91 -26.03 48.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.021 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.97 -47.99 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -59.05 -43.95 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 109.751 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.456 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.06 -47.49 80.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.628 176.506 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.52 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.1 -52.69 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.437 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -67.26 -24.76 65.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 6.3 tt -61.13 -55.11 36.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.86 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 m -65.62 -30.99 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.091 0.472 . . . . 0.0 110.701 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.632 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 66.3 mtp180 -64.17 -49.11 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.983 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.89 -6.87 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.109 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 59.3 mt-10 -88.02 -19.9 26.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.284 174.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 21' ' ' ILE . 2.0 mp 55.08 79.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.964 0.887 . . . . 0.0 109.764 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.465 ' OD1' ' HD3' ' A' ' 31' ' ' ARG . 10.6 p-10 -80.99 80.59 7.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.07 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 tpt -132.14 125.48 31.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.472 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.513 ' HB3' ' CD ' ' A' ' 27' ' ' GLU . 10.2 tp10 -173.13 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.27 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -140.14 -76.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.194 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.3 -31.24 43.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.791 ' HA ' HD13 ' A' ' 30' ' ' LEU . 1.5 pm0 -67.12 -24.55 65.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.284 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -21.2 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.552 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.88 -31.96 51.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.168 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.791 HD13 ' HA ' ' A' ' 27' ' ' GLU . 8.5 mp -66.47 -42.63 87.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.589 ' NH1' ' HA ' ' A' ' 18' ' ' ARG . 11.6 tpt180 -53.98 -45.79 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.294 174.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.47 -39.99 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.552 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.47 -39.39 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.02 -38.16 87.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.438 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.0 tm? -74.35 -48.42 28.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.223 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.4 t -63.58 -10.12 16.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.693 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.95 -30.92 69.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.925 0.393 . . . . 0.0 110.644 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.214 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.444 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.4 m-20 -61.81 -32.21 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.86 -55.11 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.449 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -75.84 -33.38 60.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.95 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -51.47 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.471 0.482 . . . . 0.0 112.026 -174.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 111.809 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.37 -46.41 49.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.98 -45.5 85.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -62.64 -35.3 79.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.105 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.12 -43.05 83.38 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.53 70.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.575 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' A' ' 38' ' ' MET . 77.4 mt -64.96 -50.91 64.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.329 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.27 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.445 0.641 . . . . 0.0 110.368 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.41 -54.42 40.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.231 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -62.68 -30.51 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.566 ' HG3' HG21 ' A' ' 34' ' ' ILE . 27.9 mtp180 -65.15 -57.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.95 -27.47 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.348 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.45 -41.02 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.704 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 23' ' ' MET . 47.6 mm -74.92 -70.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.459 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.56 -40.63 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.127 0.892 . . . . 0.0 111.9 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' ILE . 10.3 tpt -54.91 108.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.871 0.868 . . . . 0.0 112.039 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.744 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 41.2 mt-10 -87.86 45.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 111.061 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.77 -114.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.32 -34.75 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.87 -23.96 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.733 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.744 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -60.28 -18.31 48.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.857 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.27 -34.72 68.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 0.0 109.903 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.66 -35.7 70.42 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.3 tpt180 -56.89 -46.62 81.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.665 171.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -59.76 -45.42 92.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.862 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.16 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.483 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.566 HG21 ' HG3' ' A' ' 18' ' ' ARG . 1.4 mp -68.96 -38.75 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.144 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 12.3 mm-40 -65.23 -35.37 80.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.217 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.1 tm? -69.01 -47.75 64.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.561 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -62.38 -35.44 79.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.599 ' HA ' HD13 ' A' ' 14' ' ' LEU . 26.4 ttt -59.41 -35.36 73.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 121.024 0.44 . . . . 0.0 110.268 176.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.928 173.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.79 -50.58 0.14 Allowed 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.2 -44.33 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.655 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.48 -34.74 74.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.57 -39.66 88.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.106 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.66 -31.23 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.618 0.247 . . . . 0.0 110.335 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.17 -46.48 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.6 tm? -62.96 -49.37 74.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.815 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' OE1' HD12 ' A' ' 14' ' ' LEU . 23.7 mm-40 -62.15 -31.87 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.749 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 17.2 tpp180 -63.67 -53.16 55.69 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.872 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.345 0.403 . . . . 0.0 111.127 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 65.4 mt -66.98 -53.6 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.83 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.63 72.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.261 0.553 . . . . 0.0 110.486 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 tt -60.96 -52.77 63.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -58.07 -27.18 63.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.367 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 14' ' ' LEU . 25.9 mmm180 -69.78 -55.16 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.75 -26.09 65.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.441 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HG3' HD23 ' A' ' 16' ' ' LEU . 29.3 mt-10 -60.29 -55.94 27.56 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 111.367 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.3 mm -117.97 -78.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -173.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t0 54.02 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.405 0.622 . . . . 0.0 110.243 -170.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ttm -164.94 -178.43 5.2 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.21 63.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.474 0.654 . . . . 0.0 111.89 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.921 ' H ' ' HB3' ' A' ' 28' ' ' ALA . 2.2 p30 -116.58 -165.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.619 172.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -59.82 -52.02 67.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.79 -29.59 29.48 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 110.625 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.921 ' HB3' ' H ' ' A' ' 25' ' ' ASP . . . -65.29 -23.17 66.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.909 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.6 -36.21 78.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.083 0.468 . . . . 0.0 110.223 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.01 -40.75 95.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -65.58 -31.46 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.029 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.21 -34.3 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.009 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.22 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 HD22 ' A' ' 14' ' ' LEU . 1.5 mp -65.76 -36.84 78.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.599 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.79 -37.15 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.928 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -64.71 -47.0 79.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.174 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 p -63.56 -11.84 27.88 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.0 mtt -76.29 -29.44 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.526 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.433 -178.06 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.0 -40.3 63.7 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.665 0.603 . . . . 0.0 111.569 -175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -50.04 -58.54 5.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.127 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.81 -31.18 64.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.662 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.42 -40.99 89.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.949 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.284 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.4 -42.31 92.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.357 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.4 mt -65.33 -46.32 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.485 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -67.33 -27.03 66.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.672 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.48 -45.23 88.25 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.9 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.716 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.687 ' HG ' HG13 ' A' ' 34' ' ' ILE . 5.2 mp -60.56 -53.77 53.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.835 176.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -71.25 -28.49 64.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.94 -52.74 62.82 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -64.6 -29.97 70.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 13.4 ptt180 -75.31 -29.77 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.664 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -89.82 -23.52 21.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' C ' HD12 ' A' ' 21' ' ' ILE . 15.6 mm-40 -79.19 -35.89 41.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.001 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 20' ' ' GLU . 2.1 mp -116.53 113.63 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.249 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -108.44 47.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.912 0.863 . . . . 0.0 108.884 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.4 ttt -105.84 134.05 49.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.712 -174.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 16.2 tp10 -116.42 58.4 0.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.524 0.678 . . . . 0.0 109.859 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.73 -148.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.57 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.97 -20.93 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.415 0.626 . . . . 0.0 109.906 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -23.43 42.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.011 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.652 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . . . -57.81 -24.06 55.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.278 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.32 -42.86 87.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.318 0.58 . . . . 0.0 109.854 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.6 -33.3 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.652 ' HG2' ' HA ' ' A' ' 28' ' ' ALA . 24.5 mmt180 -65.51 -37.4 86.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -67.57 -33.4 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.032 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.9 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.687 HG13 ' HG ' ' A' ' 14' ' ' LEU . 1.2 mp -66.91 -41.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.63 -35.76 79.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.35 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -69.22 -44.16 72.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.858 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 t -59.57 -26.97 65.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.659 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.0 ttt -80.23 -46.38 16.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.462 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.479 177.902 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.921 -173.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.93 -38.44 88.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.86 -41.7 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.599 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 4.8 mm-40 -57.01 -32.3 65.99 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.663 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 43.6 mm-40 -59.14 -35.42 73.48 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.057 0.223 . . . . 0.0 111.308 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -78.98 -37.24 39.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.356 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -46.22 82.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.419 0.628 . . . . 0.0 109.955 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -60.52 -36.41 78.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.255 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.66 -43.31 97.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.054 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.966 176.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HB3' HG23 ' A' ' 34' ' ' ILE . 98.4 mt -64.83 -51.59 61.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.434 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.49 78.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.092 0.473 . . . . 0.0 110.109 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 8.6 tt -56.85 -51.64 68.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.96 175.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -62.04 -23.68 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 111.171 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.699 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 2.9 ttt180 -84.47 -31.12 24.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.04 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 13.3 pt20 -92.17 -16.04 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.16 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 36.7 mm-40 -47.7 -66.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.272 173.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.6 mm -138.06 95.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.402 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.07 -64.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.906 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 11.9 tpt 36.15 86.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.658 1.224 . . . . 0.0 112.06 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 7.8 pt-20 -74.66 51.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -170.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.535 ' OD1' ' HG3' ' A' ' 23' ' ' MET . 28.1 p-10 -132.84 -68.9 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.939 -0.476 . . . . 0.0 110.889 172.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -117.81 -31.76 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.535 0.207 . . . . 0.0 110.937 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.906 ' HB2' ' HB3' ' A' ' 23' ' ' MET . 22.6 mm-40 -62.74 -35.71 80.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 109.944 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -58.96 -30.46 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.115 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.86 -42.16 97.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.425 0.631 . . . . 0.0 109.823 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.91 -36.82 75.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.565 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 11.2 mmt180 -67.58 -33.49 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -65.3 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.946 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 36' ' ' LEU . . . -67.73 -29.17 68.34 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.725 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.54 HG23 ' HB3' ' A' ' 14' ' ' LEU . 1.5 mp -67.68 -40.89 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HA ' ' SD ' ' A' ' 38' ' ' MET . 66.7 mt-30 -74.17 -18.1 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 177.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -72.04 -45.06 62.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.369 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 m -53.98 -40.49 66.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.318 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 35' ' ' GLN . 3.9 ppp? -104.6 37.94 2.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.362 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 15.5 pt20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.752 0.787 . . . . 0.0 112.099 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--O 1.225 -0.234 0 N-CA-C 111.291 0.108 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.36 -42.95 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.07 -36.97 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 110.84 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -80.95 -34.39 33.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.978 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.05 -47.76 83.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.427 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -56.88 -48.1 78.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.694 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.68 -41.06 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.47 -53.57 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.696 ' HA ' HD12 ' A' ' 14' ' ' LEU . 28.2 pt20 -68.75 -29.74 68.21 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.091 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -64.32 -44.39 91.72 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.298 0.374 . . . . 0.0 111.31 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 11' ' ' GLN . 78.1 mt -64.65 -53.21 51.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -65.91 -32.13 73.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.183 0.516 . . . . 0.0 110.335 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 7.0 tt -59.31 -52.46 65.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.313 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 m -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -68.41 -46.09 70.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.712 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -75.52 -10.9 59.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 53.2 mm-40 -73.86 -40.66 63.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 173.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.48 99.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.618 0.723 . . . . 0.0 109.737 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.33 52.66 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.313 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.654 ' HG3' ' H ' ' A' ' 25' ' ' ASP . 44.6 tpp -114.46 151.03 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.79 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.21 6.22 24.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 0.0 111.78 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.654 ' H ' ' HG3' ' A' ' 23' ' ' MET . 36.2 t70 -146.6 136.27 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.972 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 71.22 -18.42 0.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.444 0.698 . . . . 0.0 111.738 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -50.21 -30.05 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.957 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.11 -47.28 71.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.844 0.354 . . . . 0.0 111.229 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.66 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 21.3 m-20 -68.97 -28.51 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.148 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.16 -36.71 72.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.4 mmt180 -62.39 -42.56 99.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.66 ' HD2' ' HA ' ' A' ' 29' ' ' ASP . 95.0 mtt180 -60.65 -29.95 69.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.055 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.1 88.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.95 -38.55 82.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.468 0.651 . . . . 0.0 109.623 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.58 -28.64 68.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.809 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.5 tm? -71.8 -45.16 62.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.077 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.6 m -56.69 -40.44 75.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.869 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.868 ' HG3' ' HG3' ' A' ' 39' ' ' GLN . 21.8 ptm -91.24 -40.64 11.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.868 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 66.1 mt-30 . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.729 0.299 . . . . 0.0 110.795 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 121.416 0.626 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.7 -37.04 77.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.446 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.34 -47.59 84.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.281 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.22 -39.35 89.54 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.35 -46.26 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.014 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 11' ' ' GLN . 38.1 mt-10 -66.45 -42.96 86.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.56 -36.93 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.705 0.288 . . . . 0.0 110.77 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.14 -54.66 22.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.175 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 8' ' ' GLU . 4.2 pt20 -62.97 -29.66 70.98 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.74 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.09 -52.71 62.8 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.262 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.68 63.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.298 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB3' HG23 ' A' ' 34' ' ' ILE . 86.1 mt -70.01 -49.02 55.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -62.37 -39.03 91.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.469 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.85 -46.97 88.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.631 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 11.4 p -70.75 -23.84 62.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 0.0 111.126 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 31.4 mtp-105 -61.89 -41.08 97.47 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 58.8 mm-40 -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.876 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 19.8 mm-40 -60.6 -34.84 74.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.838 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 23' ' ' MET . 36.5 mm -88.53 -77.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.697 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 3.6 t70 40.91 51.47 3.2 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.019 0.824 . . . . 0.0 111.417 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.683 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 22.2 ttm -135.35 -175.78 4.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 23' ' ' MET . 9.0 pt-20 -126.99 -28.73 2.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 -155.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.9 -97.95 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.806 1.184 . . . . 0.0 111.74 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -79.49 -32.66 42.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.716 0.77 . . . . 0.0 109.412 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.683 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 1.9 mp0 -58.4 -32.21 68.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.915 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.84 75.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.311 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 32' ' ' ARG . 33.6 t70 -66.81 -30.11 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 110.819 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -51.98 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.513 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 12.0 ttp180 -66.6 -29.52 69.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.882 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 37.6 ttm180 -60.0 -45.28 93.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.395 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.5 80.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 14' ' ' LEU . 1.7 mp -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.157 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.11 -28.86 66.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.133 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.9 tm? -65.12 -46.81 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -67.19 -13.74 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.643 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.4 mtt -85.61 -61.09 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.248 179.339 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 5.0 mp . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 122.122 0.963 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.9 m-20 -60.36 -37.02 79.38 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.368 -1.742 . . . . 0.0 111.107 -178.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -55.32 -36.9 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.29 -41.03 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.504 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 39.1 mt-10 -57.46 -40.61 78.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.055 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.19 -45.7 90.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.678 0.275 . . . . 0.0 111.127 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.37 -30.07 63.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.05 0.453 . . . . 0.0 110.636 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -50.27 67.53 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 77.8 mt-30 -63.55 -35.48 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -58.1 -47.34 83.52 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.317 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.47 84.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.4 . . . . 0.0 111.038 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.3 mt -65.34 -50.41 65.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . . . -66.64 -33.86 76.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.487 . . . . 0.0 110.67 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 8.7 tt -57.36 -50.91 71.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 21' ' ' ILE . 25.3 t -64.05 -29.28 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 58.9 mtt180 -64.25 -47.28 80.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 110.971 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -74.32 -12.41 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.063 0.459 . . . . 0.0 110.508 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 45.4 mm-40 -81.37 -18.29 46.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.571 175.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 17' ' ' SER . 47.0 mm -78.01 -82.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.193 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 37.71 55.57 1.52 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.929 0.768 . . . . 0.0 110.735 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.532 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 45.1 ttm -119.43 157.41 28.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.906 -171.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -89.57 -37.6 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 27' ' ' GLU . 31.4 t70 -125.66 153.83 43.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.645 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 43.8 mt-10 72.71 -18.75 0.33 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.329 0.652 . . . . 0.0 112.258 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 23' ' ' MET . 1.8 pp20? -53.66 -26.75 23.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.5 84.17 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.334 0.396 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.71 -46.59 71.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.897 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.61 -39.8 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.504 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -60.54 -46.83 88.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.103 0.478 . . . . 0.0 109.739 175.723 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -61.06 -39.18 88.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.021 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.44 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.26 -39.38 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.205 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 78.5 mt-30 -70.19 -37.08 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -37.68 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.879 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.6 m -63.0 -11.1 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.323 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.87 -3.7 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 . . . . . 0 C--O 1.235 0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.089 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -78.56 102.35 7.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.104 0.478 . . . . 0.0 110.409 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.22 -31.63 49.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.655 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.0 m-20 -59.36 -34.36 72.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.712 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.02 -53.19 35.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.98 -32.84 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 32.6 mt-10 -68.53 -31.35 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.458 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -56.45 -48.96 75.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 110.499 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 21.2 t70 -75.2 -29.05 60.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.33 -49.96 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.917 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.88 -22.18 61.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.168 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 2.8 tmm_? -63.06 -50.34 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.16 78.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.6 mt -61.61 -51.3 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -62.35 -35.22 78.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.303 0.573 . . . . 0.0 110.531 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 8.7 tt -59.36 -51.16 71.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.963 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -67.85 -25.59 65.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 16.4 mtp180 -60.08 -46.51 89.35 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.488 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 1.1 pp0? -81.11 -22.8 38.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.6 mt-10 -59.88 -54.07 50.47 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.082 0.468 . . . . 0.0 110.28 173.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' A' ' 27' ' ' GLU . 2.1 mp -79.68 -75.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.019 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 21' ' ' ILE . 3.8 t70 36.67 60.61 0.92 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.988 0.805 . . . . 0.0 110.959 -173.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.558 ' HG3' ' OD2' ' A' ' 25' ' ' ASP . 33.7 tpp -144.16 117.62 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.386 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 13.5 mm-40 -91.84 58.6 3.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.558 ' OD2' ' HG3' ' A' ' 23' ' ' MET . 1.0 OUTLIER -138.89 -101.3 0.17 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.688 174.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -87.18 -40.94 14.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.566 ' HB3' HG23 ' A' ' 21' ' ' ILE . 43.9 mt-10 -60.52 -23.02 64.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.599 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -57.71 -22.89 48.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.03 -43.79 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.5 mp -64.4 -39.89 94.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.336 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -55.69 -44.98 77.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.337 174.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -67.68 -28.69 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.404 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.57 75.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.23 -42.94 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 50.5 tt0 -60.39 -43.93 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.886 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.9 tm? -58.89 -46.54 87.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.105 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -62.42 -38.17 88.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 ttt -67.49 -25.27 65.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 53.2 mt-30 -73.73 -3.48 28.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.761 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.74 23.83 77.49 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.225 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 m -100.57 114.36 27.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.083 -177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 m -103.49 -149.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.201 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 9.78 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.081 -0.387 . . . . 0.0 111.538 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -83.28 75.73 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 109.973 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.27 -47.69 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.088 0.47 . . . . 0.0 110.563 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.486 -0.768 . . . . 0.0 109.652 179.291 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.912 -0.475 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -147.32 -42.87 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.659 0.266 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.63 -21.47 60.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.33 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 2.1 m-20 -57.37 -34.63 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.457 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.75 -44.02 90.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.729 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.81 -33.5 46.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.063 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -52.92 -43.5 66.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.526 175.294 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.41 -37.08 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.35 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -76.12 -39.59 54.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.7 tm? -64.06 -48.28 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.864 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 14' ' ' LEU . 77.1 mt-30 -64.97 -33.58 76.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.382 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.5 -50.3 74.11 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.55 65.56 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.362 0.414 . . . . 0.0 111.843 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 38' ' ' MET . 93.4 mt -68.19 -53.55 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.528 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.82 84.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.606 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 6.7 tt -56.48 -52.3 65.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.866 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 32.9 t -57.14 -35.19 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.217 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -73.04 -40.33 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -78.85 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.977 0.418 . . . . 0.0 110.39 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.4 mm-40 -63.26 -60.89 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.029 172.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -132.24 102.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.131 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.2 17.06 11.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 tpt -73.66 118.48 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.736 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.809 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 53.2 mt-10 -85.66 72.87 10.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.619 . . . . 0.0 111.321 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -139.62 -136.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.72 -28.39 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 110.089 173.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 79.0 mm-40 -62.25 -31.74 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.734 174.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.809 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -67.51 -26.79 66.52 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.843 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.3 -45.92 87.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.0 110.396 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.15 -41.6 94.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.2 mmt180 -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -73.24 -39.44 65.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.35 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.49 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 0.0 109.996 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.01 -37.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.037 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -60.91 -37.82 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.375 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -73.5 -49.55 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.729 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.5 t -66.85 -10.59 49.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.867 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.535 ' HA ' HD13 ' A' ' 14' ' ' LEU . 62.7 ttp -76.67 -25.59 53.87 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.132 0.491 . . . . 0.0 110.517 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -109.35 168.51 9.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.222 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 9.64 14.71 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.091 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -88.88 35.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.46 0.647 . . . . 0.0 110.448 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -133.56 122.42 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.942 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.28 29.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -167.91 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.3 tp -166.96 -54.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.045 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.306 -178.948 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -118.37 105.24 11.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.72 0.295 . . . . 0.0 110.811 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mp -106.82 -64.17 1.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.585 0.707 . . . . 0.0 109.469 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.0 m-20 -70.74 -33.85 71.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.118 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -47.05 -52.6 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.854 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.78 -24.5 23.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.984 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -55.18 -51.91 65.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.096 0.474 . . . . 0.0 110.702 -177.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.29 -43.12 96.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.516 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.91 -26.03 48.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.021 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.97 -47.99 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -59.05 -43.95 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 109.751 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.06 -47.49 80.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.628 176.506 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.52 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.1 -52.69 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.437 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -67.26 -24.76 65.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 6.3 tt -61.13 -55.11 36.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.86 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 m -65.62 -30.99 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.091 0.472 . . . . 0.0 110.701 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.632 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 66.3 mtp180 -64.17 -49.11 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.983 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.89 -6.87 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.109 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 59.3 mt-10 -88.02 -19.9 26.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.284 174.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 21' ' ' ILE . 2.0 mp 55.08 79.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.964 0.887 . . . . 0.0 109.764 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.465 ' OD1' ' HD3' ' A' ' 31' ' ' ARG . 10.6 p-10 -80.99 80.59 7.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.07 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 tpt -132.14 125.48 31.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.472 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.513 ' HB3' ' CD ' ' A' ' 27' ' ' GLU . 10.2 tp10 -173.13 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.27 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -140.14 -76.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.194 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.3 -31.24 43.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.791 ' HA ' HD13 ' A' ' 30' ' ' LEU . 1.5 pm0 -67.12 -24.55 65.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.284 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -21.2 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.552 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.88 -31.96 51.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.168 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.791 HD13 ' HA ' ' A' ' 27' ' ' GLU . 8.5 mp -66.47 -42.63 87.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.589 ' NH1' ' HA ' ' A' ' 18' ' ' ARG . 11.6 tpt180 -53.98 -45.79 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.294 174.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.47 -39.99 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.552 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.47 -39.39 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.02 -38.16 87.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.438 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.0 tm? -74.35 -48.42 28.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.223 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.4 t -63.58 -10.12 16.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.693 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.95 -30.92 69.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.925 0.393 . . . . 0.0 110.644 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -103.76 155.3 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.214 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.78 110.12 3.23 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.603 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -73.31 61.64 0.66 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.476 0.655 . . . . 0.0 112.182 -175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -139.35 -20.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.997 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -146.99 170.05 17.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.676 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 58.36 72.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.69 0.757 . . . . 0.0 110.574 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 45' ' ' LEU . 2.6 pt? -82.51 -15.43 52.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.823 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.429 -179.429 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -128.73 22.11 5.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.156 0.503 . . . . 0.0 110.43 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.13 -9.31 58.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.557 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.4 m-20 -61.81 -32.21 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.86 -55.11 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.449 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -75.84 -33.38 60.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.95 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -51.47 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.471 0.482 . . . . 0.0 112.026 -174.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 111.809 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.37 -46.41 49.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.98 -45.5 85.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -62.64 -35.3 79.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.105 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.12 -43.05 83.38 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.53 70.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.575 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' A' ' 38' ' ' MET . 77.4 mt -64.96 -50.91 64.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.329 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.27 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.445 0.641 . . . . 0.0 110.368 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.41 -54.42 40.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.231 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -62.68 -30.51 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.566 ' HG3' HG21 ' A' ' 34' ' ' ILE . 27.9 mtp180 -65.15 -57.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.95 -27.47 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.348 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.45 -41.02 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.704 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 23' ' ' MET . 47.6 mm -74.92 -70.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.459 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.56 -40.63 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.127 0.892 . . . . 0.0 111.9 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' ILE . 10.3 tpt -54.91 108.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.871 0.868 . . . . 0.0 112.039 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.744 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 41.2 mt-10 -87.86 45.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 111.061 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.77 -114.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.32 -34.75 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.87 -23.96 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.733 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.744 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -60.28 -18.31 48.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.857 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.27 -34.72 68.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 0.0 109.903 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.66 -35.7 70.42 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.3 tpt180 -56.89 -46.62 81.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.665 171.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -59.76 -45.42 92.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.862 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.16 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.483 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.566 HG21 ' HG3' ' A' ' 18' ' ' ARG . 1.4 mp -68.96 -38.75 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.144 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 12.3 mm-40 -65.23 -35.37 80.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.217 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.1 tm? -69.01 -47.75 64.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.561 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -62.38 -35.44 79.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.599 ' HA ' HD13 ' A' ' 14' ' ' LEU . 26.4 ttt -59.41 -35.36 73.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 121.024 0.44 . . . . 0.0 110.268 176.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -73.79 -66.09 0.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.928 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.4 85.28 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.422 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 p -131.65 20.44 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.053 0.454 . . . . 0.0 110.946 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m -103.94 80.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.606 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -80.86 74.33 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.107 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -150.8 12.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.666 0.746 . . . . 0.0 109.558 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.3 71.56 1.38 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.388 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 6.7 pt-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -157.46 -86.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp -117.96 -96.93 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.79 -50.58 0.14 Allowed 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.2 -44.33 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.655 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.48 -34.74 74.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.57 -39.66 88.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.106 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.66 -31.23 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.618 0.247 . . . . 0.0 110.335 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.17 -46.48 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.6 tm? -62.96 -49.37 74.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.815 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' OE1' HD12 ' A' ' 14' ' ' LEU . 23.7 mm-40 -62.15 -31.87 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.749 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 17.2 tpp180 -63.67 -53.16 55.69 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.872 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.345 0.403 . . . . 0.0 111.127 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 65.4 mt -66.98 -53.6 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.83 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.63 72.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.261 0.553 . . . . 0.0 110.486 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 tt -60.96 -52.77 63.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -58.07 -27.18 63.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.367 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 14' ' ' LEU . 25.9 mmm180 -69.78 -55.16 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.75 -26.09 65.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.441 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HG3' HD23 ' A' ' 16' ' ' LEU . 29.3 mt-10 -60.29 -55.94 27.56 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 111.367 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.3 mm -117.97 -78.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -173.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t0 54.02 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.405 0.622 . . . . 0.0 110.243 -170.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ttm -164.94 -178.43 5.2 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.21 63.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.474 0.654 . . . . 0.0 111.89 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.921 ' H ' ' HB3' ' A' ' 28' ' ' ALA . 2.2 p30 -116.58 -165.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.619 172.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -59.82 -52.02 67.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.79 -29.59 29.48 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 110.625 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.921 ' HB3' ' H ' ' A' ' 25' ' ' ASP . . . -65.29 -23.17 66.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.909 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.6 -36.21 78.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.083 0.468 . . . . 0.0 110.223 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.01 -40.75 95.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -65.58 -31.46 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.029 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.21 -34.3 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.009 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.22 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 HD22 ' A' ' 14' ' ' LEU . 1.5 mp -65.76 -36.84 78.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.599 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.79 -37.15 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.928 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -64.71 -47.0 79.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.174 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 p -63.56 -11.84 27.88 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.0 mtt -76.29 -29.44 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.526 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -126.71 82.85 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.433 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 66.53 2.76 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.055 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 t -144.6 60.77 1.33 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.408 0.623 . . . . 0.0 110.15 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -79.97 100.91 8.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -147.6 21.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -148.99 -69.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.061 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -77.83 -61.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.751 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.411 178.419 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.158 -0.377 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -117.95 -178.56 3.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp 59.93 -95.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.442 0.464 . . . . 0.0 111.472 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.0 -40.3 63.7 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.665 0.603 . . . . 0.0 111.569 -175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -50.04 -58.54 5.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.127 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.81 -31.18 64.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.662 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.42 -40.99 89.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.949 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.284 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.4 -42.31 92.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.357 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.4 mt -65.33 -46.32 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.485 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -67.33 -27.03 66.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.672 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.48 -45.23 88.25 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.9 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.716 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.687 ' HG ' HG13 ' A' ' 34' ' ' ILE . 5.2 mp -60.56 -53.77 53.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.835 176.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -71.25 -28.49 64.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.94 -52.74 62.82 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -64.6 -29.97 70.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 13.4 ptt180 -75.31 -29.77 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.664 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -89.82 -23.52 21.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' C ' HD12 ' A' ' 21' ' ' ILE . 15.6 mm-40 -79.19 -35.89 41.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.001 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 20' ' ' GLU . 2.1 mp -116.53 113.63 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.249 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -108.44 47.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.912 0.863 . . . . 0.0 108.884 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.4 ttt -105.84 134.05 49.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.712 -174.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 16.2 tp10 -116.42 58.4 0.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.524 0.678 . . . . 0.0 109.859 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.73 -148.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.57 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.97 -20.93 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.415 0.626 . . . . 0.0 109.906 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -23.43 42.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.011 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.652 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . . . -57.81 -24.06 55.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.278 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.32 -42.86 87.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.318 0.58 . . . . 0.0 109.854 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.6 -33.3 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.652 ' HG2' ' HA ' ' A' ' 28' ' ' ALA . 24.5 mmt180 -65.51 -37.4 86.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -67.57 -33.4 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.032 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.9 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.687 HG13 ' HG ' ' A' ' 14' ' ' LEU . 1.2 mp -66.91 -41.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.63 -35.76 79.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.35 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -69.22 -44.16 72.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.858 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 t -59.57 -26.97 65.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.659 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.0 ttt -80.23 -46.38 16.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.462 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -113.05 92.98 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.479 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.59 96.23 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.108 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 m -85.59 135.21 33.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -74.12 62.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.166 0.508 . . . . 0.0 110.944 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HG3' ' H ' ' A' ' 44' ' ' ASN . 2.6 ptp180 -88.41 -69.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.148 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.579 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 77.9 m-20 -104.27 59.93 0.72 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.468 0.651 . . . . 0.0 110.578 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -132.83 155.03 49.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.776 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.914 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.016 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -61.21 1.87 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.2 tp -148.84 -3.52 0.45 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.725 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.921 -173.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.93 -38.44 88.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.86 -41.7 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.599 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 4.8 mm-40 -57.01 -32.3 65.99 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.663 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 43.6 mm-40 -59.14 -35.42 73.48 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.057 0.223 . . . . 0.0 111.308 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -78.98 -37.24 39.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.356 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -46.22 82.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.419 0.628 . . . . 0.0 109.955 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -60.52 -36.41 78.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.255 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.66 -43.31 97.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.054 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.966 176.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HB3' HG23 ' A' ' 34' ' ' ILE . 98.4 mt -64.83 -51.59 61.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.434 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.49 78.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.092 0.473 . . . . 0.0 110.109 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 8.6 tt -56.85 -51.64 68.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.96 175.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -62.04 -23.68 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 111.171 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.699 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 2.9 ttt180 -84.47 -31.12 24.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.04 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 13.3 pt20 -92.17 -16.04 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.16 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 36.7 mm-40 -47.7 -66.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.272 173.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.6 mm -138.06 95.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.402 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.07 -64.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.906 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 11.9 tpt 36.15 86.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.658 1.224 . . . . 0.0 112.06 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 7.8 pt-20 -74.66 51.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -170.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.535 ' OD1' ' HG3' ' A' ' 23' ' ' MET . 28.1 p-10 -132.84 -68.9 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.939 -0.476 . . . . 0.0 110.889 172.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -117.81 -31.76 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.535 0.207 . . . . 0.0 110.937 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.906 ' HB2' ' HB3' ' A' ' 23' ' ' MET . 22.6 mm-40 -62.74 -35.71 80.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 109.944 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -58.96 -30.46 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.115 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.86 -42.16 97.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.425 0.631 . . . . 0.0 109.823 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.91 -36.82 75.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.565 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 11.2 mmt180 -67.58 -33.49 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -65.3 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.946 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 36' ' ' LEU . . . -67.73 -29.17 68.34 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.725 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.54 HG23 ' HB3' ' A' ' 14' ' ' LEU . 1.5 mp -67.68 -40.89 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HA ' ' SD ' ' A' ' 38' ' ' MET . 66.7 mt-30 -74.17 -18.1 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 177.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -72.04 -45.06 62.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.369 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 m -53.98 -40.49 66.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.318 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 35' ' ' GLN . 3.9 ppp? -104.6 37.94 2.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.362 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 15.5 pt20 -60.83 100.79 0.12 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.752 0.787 . . . . 0.0 112.099 -175.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.37 -33.16 6.63 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -98.88 107.91 20.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.912 0.387 . . . . 0.0 110.177 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -110.58 42.02 1.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.439 0.638 . . . . 0.0 109.666 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 43' ' ' ARG . 26.5 ttm180 -87.9 -41.8 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.234 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -114.93 59.94 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.773 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -118.72 -30.51 5.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.814 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.654 -179.08 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -104.91 -52.26 2.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.202 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.95 -28.34 25.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.36 -42.95 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.07 -36.97 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 110.84 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -80.95 -34.39 33.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.978 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.05 -47.76 83.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.427 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -56.88 -48.1 78.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.694 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.68 -41.06 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.47 -53.57 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.696 ' HA ' HD12 ' A' ' 14' ' ' LEU . 28.2 pt20 -68.75 -29.74 68.21 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.091 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -64.32 -44.39 91.72 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.298 0.374 . . . . 0.0 111.31 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 11' ' ' GLN . 78.1 mt -64.65 -53.21 51.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -65.91 -32.13 73.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.183 0.516 . . . . 0.0 110.335 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 7.0 tt -59.31 -52.46 65.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.313 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 m -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -68.41 -46.09 70.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.712 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -75.52 -10.9 59.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 53.2 mm-40 -73.86 -40.66 63.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 173.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.48 99.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.618 0.723 . . . . 0.0 109.737 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.33 52.66 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.313 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.654 ' HG3' ' H ' ' A' ' 25' ' ' ASP . 44.6 tpp -114.46 151.03 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.79 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.21 6.22 24.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 0.0 111.78 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.654 ' H ' ' HG3' ' A' ' 23' ' ' MET . 36.2 t70 -146.6 136.27 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.972 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 71.22 -18.42 0.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.444 0.698 . . . . 0.0 111.738 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -50.21 -30.05 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.957 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.11 -47.28 71.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.844 0.354 . . . . 0.0 111.229 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.66 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 21.3 m-20 -68.97 -28.51 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.148 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.16 -36.71 72.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.4 mmt180 -62.39 -42.56 99.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.66 ' HD2' ' HA ' ' A' ' 29' ' ' ASP . 95.0 mtt180 -60.65 -29.95 69.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.055 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.1 88.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.95 -38.55 82.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.468 0.651 . . . . 0.0 109.623 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.58 -28.64 68.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.809 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 42' ' ' SER . 1.5 tm? -71.8 -45.16 62.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.077 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.6 m -56.69 -40.44 75.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.869 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.868 ' HG3' ' HG3' ' A' ' 39' ' ' GLN . 21.8 ptm -91.24 -40.64 11.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.868 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 66.1 mt-30 -115.54 132.2 56.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.729 0.299 . . . . 0.0 110.795 -174.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.2 55.27 5.0 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.17 -38.32 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.024 0.44 . . . . 0.0 109.825 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.559 ' HB3' HD23 ' A' ' 36' ' ' LEU . 46.6 t -78.84 130.27 35.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.777 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -106.38 -10.37 16.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -167.37 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.685 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp 70.26 92.37 0.08 Allowed 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.841 0.713 . . . . 0.0 110.018 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.408 -178.13 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.134 -0.386 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -95.65 73.25 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.181 0.515 . . . . 0.0 110.384 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.781 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.5 pt? -88.71 19.33 4.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.416 0.626 . . . . 0.0 110.26 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.7 -37.04 77.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.446 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.34 -47.59 84.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.281 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.22 -39.35 89.54 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.35 -46.26 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.014 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 11' ' ' GLN . 38.1 mt-10 -66.45 -42.96 86.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.56 -36.93 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.705 0.288 . . . . 0.0 110.77 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.14 -54.66 22.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.175 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 8' ' ' GLU . 4.2 pt20 -62.97 -29.66 70.98 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.74 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.09 -52.71 62.8 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.262 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.68 63.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.298 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB3' HG23 ' A' ' 34' ' ' ILE . 86.1 mt -70.01 -49.02 55.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -62.37 -39.03 91.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.469 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.85 -46.97 88.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.631 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 11.4 p -70.75 -23.84 62.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 0.0 111.126 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 31.4 mtp-105 -61.89 -41.08 97.47 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 58.8 mm-40 -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.876 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 19.8 mm-40 -60.6 -34.84 74.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.838 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 23' ' ' MET . 36.5 mm -88.53 -77.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.697 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 3.6 t70 40.91 51.47 3.2 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.019 0.824 . . . . 0.0 111.417 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.683 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 22.2 ttm -135.35 -175.78 4.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 23' ' ' MET . 9.0 pt-20 -126.99 -28.73 2.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 -155.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.9 -97.95 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.806 1.184 . . . . 0.0 111.74 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -79.49 -32.66 42.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.716 0.77 . . . . 0.0 109.412 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.683 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 1.9 mp0 -58.4 -32.21 68.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.915 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.84 75.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.311 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 32' ' ' ARG . 33.6 t70 -66.81 -30.11 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 110.819 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -51.98 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.513 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 12.0 ttp180 -66.6 -29.52 69.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.882 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 37.6 ttm180 -60.0 -45.28 93.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.395 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.5 80.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 14' ' ' LEU . 1.7 mp -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.157 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.11 -28.86 66.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.133 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.9 tm? -65.12 -46.81 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -67.19 -13.74 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.643 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.4 mtt -85.61 -61.09 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -134.14 124.07 25.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.248 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.22 33.85 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.821 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -118.3 166.97 11.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.131 0.491 . . . . 0.0 110.983 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.911 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 49.1 m -144.56 176.16 9.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.48 -71.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 111.741 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -105.51 44.07 1.07 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.556 0.693 . . . . 0.0 109.443 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.911 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 54.1 tp -147.49 129.25 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.797 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.646 -177.439 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m 59.56 57.97 3.08 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.926 0.49 . . . . 0.0 111.901 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 5.0 mp -103.14 25.06 9.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.122 0.963 . . . . 0.0 109.914 175.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.9 m-20 -60.36 -37.02 79.38 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.368 -1.742 . . . . 0.0 111.107 -178.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -55.32 -36.9 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.29 -41.03 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.504 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 39.1 mt-10 -57.46 -40.61 78.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.055 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.19 -45.7 90.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.678 0.275 . . . . 0.0 111.127 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.37 -30.07 63.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.05 0.453 . . . . 0.0 110.636 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -50.27 67.53 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 77.8 mt-30 -63.55 -35.48 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -58.1 -47.34 83.52 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.317 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.47 84.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.4 . . . . 0.0 111.038 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.3 mt -65.34 -50.41 65.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . . . -66.64 -33.86 76.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.487 . . . . 0.0 110.67 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 8.7 tt -57.36 -50.91 71.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 21' ' ' ILE . 25.3 t -64.05 -29.28 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 58.9 mtt180 -64.25 -47.28 80.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 110.971 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -74.32 -12.41 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.063 0.459 . . . . 0.0 110.508 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 45.4 mm-40 -81.37 -18.29 46.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.571 175.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 17' ' ' SER . 47.0 mm -78.01 -82.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.193 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 37.71 55.57 1.52 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.929 0.768 . . . . 0.0 110.735 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.532 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 45.1 ttm -119.43 157.41 28.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.906 -171.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -89.57 -37.6 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 27' ' ' GLU . 31.4 t70 -125.66 153.83 43.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.645 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 43.8 mt-10 72.71 -18.75 0.33 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.329 0.652 . . . . 0.0 112.258 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 23' ' ' MET . 1.8 pp20? -53.66 -26.75 23.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.5 84.17 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.334 0.396 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.71 -46.59 71.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.897 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.61 -39.8 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.504 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -60.54 -46.83 88.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.103 0.478 . . . . 0.0 109.739 175.723 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -61.06 -39.18 88.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.021 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.44 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.26 -39.38 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.205 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 78.5 mt-30 -70.19 -37.08 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -37.68 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.879 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.6 m -63.0 -11.1 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.323 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.87 -3.7 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -105.14 169.35 8.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.69 -95.99 0.15 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.102 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 p -85.61 70.91 10.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.416 . . . . 0.0 111.943 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 m -62.55 -39.39 93.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.119 0.485 . . . . 0.0 110.463 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 43' ' ' ARG . 23.9 ttt-85 -161.92 22.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.488 0.661 . . . . 0.0 109.77 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 63.6 t30 -143.3 133.67 24.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.119 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 4.1 mm? 70.71 85.55 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.98 0.8 . . . . 0.0 111.184 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.123 -0.941 . . . . 0.0 111.825 177.845 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.292 0.567 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.0 m-20 -59.36 -34.36 72.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.712 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.02 -53.19 35.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.98 -32.84 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 32.6 mt-10 -68.53 -31.35 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.458 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -56.45 -48.96 75.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 110.499 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 21.2 t70 -75.2 -29.05 60.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.33 -49.96 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.917 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.88 -22.18 61.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.168 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 2.8 tmm_? -63.06 -50.34 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.16 78.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.6 mt -61.61 -51.3 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -62.35 -35.22 78.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.303 0.573 . . . . 0.0 110.531 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 8.7 tt -59.36 -51.16 71.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.963 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -67.85 -25.59 65.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 16.4 mtp180 -60.08 -46.51 89.35 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.488 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 1.1 pp0? -81.11 -22.8 38.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.6 mt-10 -59.88 -54.07 50.47 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.082 0.468 . . . . 0.0 110.28 173.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' A' ' 27' ' ' GLU . 2.1 mp -79.68 -75.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.019 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 21' ' ' ILE . 3.8 t70 36.67 60.61 0.92 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.988 0.805 . . . . 0.0 110.959 -173.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.558 ' HG3' ' OD2' ' A' ' 25' ' ' ASP . 33.7 tpp -144.16 117.62 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.386 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 13.5 mm-40 -91.84 58.6 3.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.558 ' OD2' ' HG3' ' A' ' 23' ' ' MET . 1.0 OUTLIER -138.89 -101.3 0.17 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.688 174.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -87.18 -40.94 14.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.566 ' HB3' HG23 ' A' ' 21' ' ' ILE . 43.9 mt-10 -60.52 -23.02 64.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.599 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -57.71 -22.89 48.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.03 -43.79 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.5 mp -64.4 -39.89 94.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.336 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -55.69 -44.98 77.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.337 174.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -67.68 -28.69 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.404 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.57 75.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.23 -42.94 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 8.2 tt0 -60.39 -43.93 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.886 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.9 tm? -58.89 -46.54 87.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.105 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -62.42 -38.17 88.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 ttt -67.49 -25.27 65.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 53.2 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.761 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.076 0.465 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 2.1 m-20 -57.37 -34.63 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.457 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.75 -44.02 90.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.729 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.81 -33.5 46.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.063 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -52.92 -43.5 66.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.526 175.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.41 -37.08 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.35 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -76.12 -39.59 54.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.7 tm? -64.06 -48.28 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.864 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 14' ' ' LEU . 77.1 mt-30 -64.97 -33.58 76.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.382 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.5 -50.3 74.11 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.55 65.56 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.362 0.414 . . . . 0.0 111.843 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 38' ' ' MET . 93.4 mt -68.19 -53.55 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.528 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.82 84.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.606 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 6.7 tt -56.48 -52.3 65.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.866 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 32.9 t -57.14 -35.19 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.217 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -73.04 -40.33 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -78.85 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.977 0.418 . . . . 0.0 110.39 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.4 mm-40 -63.26 -60.89 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.029 172.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -132.24 102.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.131 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.2 17.06 11.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 tpt -73.66 118.48 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.736 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.809 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 53.2 mt-10 -85.66 72.87 10.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.619 . . . . 0.0 111.321 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -139.62 -136.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.72 -28.39 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 110.089 173.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 79.0 mm-40 -62.25 -31.74 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.734 174.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.809 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -67.51 -26.79 66.52 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.843 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.3 -45.92 87.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.0 110.396 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.15 -41.6 94.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.2 mmt180 -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -73.24 -39.44 65.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.35 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.49 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 0.0 109.996 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.01 -37.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.037 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -60.91 -37.82 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.375 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -73.5 -49.55 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.729 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.5 t -66.85 -10.59 49.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.867 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.535 ' HA ' HD13 ' A' ' 14' ' ' LEU . 62.7 ttp -76.67 -25.59 53.87 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.132 0.491 . . . . 0.0 110.517 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.222 -179.411 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 CA--C 1.517 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.0 m-20 -70.74 -33.85 71.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.118 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -47.05 -52.6 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.854 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.78 -24.5 23.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.984 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -55.18 -51.91 65.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.096 0.474 . . . . 0.0 110.702 -177.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.29 -43.12 96.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.516 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.91 -26.03 48.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.021 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.97 -47.99 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -59.05 -43.95 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 109.751 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.456 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.06 -47.49 80.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.628 176.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.52 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.1 -52.69 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.437 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -67.26 -24.76 65.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 6.3 tt -61.13 -55.11 36.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.86 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 m -65.62 -30.99 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.091 0.472 . . . . 0.0 110.701 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.632 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 66.3 mtp180 -64.17 -49.11 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.983 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.89 -6.87 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.109 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 59.3 mt-10 -88.02 -19.9 26.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.284 174.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 21' ' ' ILE . 2.0 mp 55.08 79.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.964 0.887 . . . . 0.0 109.764 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.465 ' OD1' ' HD3' ' A' ' 31' ' ' ARG . 10.6 p-10 -80.99 80.59 7.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.07 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 tpt -132.14 125.48 31.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.472 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.513 ' HB3' ' CD ' ' A' ' 27' ' ' GLU . 10.2 tp10 -173.13 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.27 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -140.14 -76.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.194 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.3 -31.24 43.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.791 ' HA ' HD13 ' A' ' 30' ' ' LEU . 1.5 pm0 -67.12 -24.55 65.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.284 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -21.2 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.552 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.88 -31.96 51.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.168 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.791 HD13 ' HA ' ' A' ' 27' ' ' GLU . 8.5 mp -66.47 -42.63 87.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.589 ' NH1' ' HA ' ' A' ' 18' ' ' ARG . 11.6 tpt180 -53.98 -45.79 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.294 174.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.47 -39.99 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.552 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.47 -39.39 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 35' ' ' GLN . 7.0 tt0 -62.02 -38.16 87.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.438 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.0 tm? -74.35 -48.42 28.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.223 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.4 t -63.58 -10.12 16.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.693 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.95 -30.92 69.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.925 0.393 . . . . 0.0 110.644 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.214 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.805 0.336 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.444 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.4 m-20 -61.81 -32.21 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.86 -55.11 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.449 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -75.84 -33.38 60.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.95 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -51.47 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.471 0.482 . . . . 0.0 112.026 -174.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 111.809 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.37 -46.41 49.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.98 -45.5 85.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.64 -35.3 79.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.105 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.12 -43.05 83.38 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.53 70.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.575 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' A' ' 38' ' ' MET . 77.4 mt -64.96 -50.91 64.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.329 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.27 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.445 0.641 . . . . 0.0 110.368 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.658 ' HA ' HE21 ' A' ' 19' ' ' GLN . 6.6 tt -54.41 -54.42 40.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.231 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -62.68 -30.51 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.566 ' HG3' HG21 ' A' ' 34' ' ' ILE . 27.9 mtp180 -65.15 -57.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' A' ' 16' ' ' LEU . 28.8 pt20 -65.95 -27.47 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.348 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.45 -41.02 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.704 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 23' ' ' MET . 47.6 mm -74.92 -70.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.459 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.56 -40.63 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.127 0.892 . . . . 0.0 111.9 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' ILE . 10.3 tpt -54.91 108.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.871 0.868 . . . . 0.0 112.039 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.744 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 41.2 mt-10 -87.86 45.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 111.061 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.77 -114.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.32 -34.75 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.87 -23.96 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.733 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.744 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -60.28 -18.31 48.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.857 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.27 -34.72 68.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 0.0 109.903 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.66 -35.7 70.42 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.3 tpt180 -56.89 -46.62 81.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.665 171.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -59.76 -45.42 92.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.862 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.16 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.483 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.566 HG21 ' HG3' ' A' ' 18' ' ' ARG . 1.4 mp -68.96 -38.75 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.144 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 12.3 mm-40 -65.23 -35.37 80.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.217 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.1 tm? -69.01 -47.75 64.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.561 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -62.38 -35.44 79.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.599 ' HA ' HD13 ' A' ' 14' ' ' LEU . 26.4 ttt -59.41 -35.36 73.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 121.024 0.44 . . . . 0.0 110.268 176.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.928 173.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.79 -50.58 0.14 Allowed 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.2 -44.33 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.655 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.48 -34.74 74.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.57 -39.66 88.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.106 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.66 -31.23 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.618 0.247 . . . . 0.0 110.335 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.17 -46.48 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.6 tm? -62.96 -49.37 74.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.815 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' OE1' HD12 ' A' ' 14' ' ' LEU . 23.7 mm-40 -62.15 -31.87 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.749 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 17.2 tpp180 -63.67 -53.16 55.69 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.872 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.345 0.403 . . . . 0.0 111.127 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 65.4 mt -66.98 -53.6 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.83 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.63 72.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.261 0.553 . . . . 0.0 110.486 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 tt -60.96 -52.77 63.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -58.07 -27.18 63.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.367 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 14' ' ' LEU . 25.9 mmm180 -69.78 -55.16 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.75 -26.09 65.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.441 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HG3' HD23 ' A' ' 16' ' ' LEU . 29.3 mt-10 -60.29 -55.94 27.56 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 111.367 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.3 mm -117.97 -78.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -173.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t0 54.02 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.405 0.622 . . . . 0.0 110.243 -170.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ttm -164.94 -178.43 5.2 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.21 63.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.474 0.654 . . . . 0.0 111.89 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.921 ' H ' ' HB3' ' A' ' 28' ' ' ALA . 2.2 p30 -116.58 -165.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.619 172.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -59.82 -52.02 67.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.79 -29.59 29.48 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 110.625 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.921 ' HB3' ' H ' ' A' ' 25' ' ' ASP . . . -65.29 -23.17 66.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.909 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.6 -36.21 78.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.083 0.468 . . . . 0.0 110.223 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.01 -40.75 95.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -65.58 -31.46 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.029 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.21 -34.3 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.009 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.22 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 HD22 ' A' ' 14' ' ' LEU . 1.5 mp -65.76 -36.84 78.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.599 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.79 -37.15 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.928 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -64.71 -47.0 79.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.174 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 p -63.56 -11.84 27.88 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.0 mtt -76.29 -29.44 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.526 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.433 -178.06 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.0 -40.3 63.7 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.665 0.603 . . . . 0.0 111.569 -175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -50.04 -58.54 5.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.127 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.81 -31.18 64.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.662 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.42 -40.99 89.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.949 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.284 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.4 -42.31 92.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.357 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.4 mt -65.33 -46.32 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.485 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.33 -27.03 66.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.672 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.48 -45.23 88.25 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.9 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.716 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.687 ' HG ' HG13 ' A' ' 34' ' ' ILE . 5.2 mp -60.56 -53.77 53.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.835 176.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -71.25 -28.49 64.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.94 -52.74 62.82 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -64.6 -29.97 70.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 13.4 ptt180 -75.31 -29.77 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.664 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -89.82 -23.52 21.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' C ' HD12 ' A' ' 21' ' ' ILE . 15.6 mm-40 -79.19 -35.89 41.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.001 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 20' ' ' GLU . 2.1 mp -116.53 113.63 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.249 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -108.44 47.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.912 0.863 . . . . 0.0 108.884 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.4 ttt -105.84 134.05 49.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.712 -174.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 16.2 tp10 -116.42 58.4 0.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.524 0.678 . . . . 0.0 109.859 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.73 -148.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.57 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.97 -20.93 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.415 0.626 . . . . 0.0 109.906 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -23.43 42.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.011 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.652 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . . . -57.81 -24.06 55.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.278 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.32 -42.86 87.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.318 0.58 . . . . 0.0 109.854 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.6 -33.3 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.652 ' HG2' ' HA ' ' A' ' 28' ' ' ALA . 24.5 mmt180 -65.51 -37.4 86.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -67.57 -33.4 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.032 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.9 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.687 HG13 ' HG ' ' A' ' 14' ' ' LEU . 1.2 mp -66.91 -41.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.63 -35.76 79.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.35 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -69.22 -44.16 72.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.858 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 t -59.57 -26.97 65.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.659 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.0 ttt -80.23 -46.38 16.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.462 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.479 177.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.2 tp . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.921 -173.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.93 -38.44 88.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.86 -41.7 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.599 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 4.8 mm-40 -57.01 -32.3 65.99 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.663 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 43.6 mm-40 -59.14 -35.42 73.48 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.057 0.223 . . . . 0.0 111.308 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -78.98 -37.24 39.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.356 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -46.22 82.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.419 0.628 . . . . 0.0 109.955 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -60.52 -36.41 78.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.255 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.66 -43.31 97.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.054 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.966 176.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HB3' HG23 ' A' ' 34' ' ' ILE . 98.4 mt -64.83 -51.59 61.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.434 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.49 78.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.092 0.473 . . . . 0.0 110.109 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 8.6 tt -56.85 -51.64 68.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.96 175.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -62.04 -23.68 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 111.171 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.699 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 2.9 ttt180 -84.47 -31.12 24.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.04 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 13.3 pt20 -92.17 -16.04 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.16 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 36.7 mm-40 -47.7 -66.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.272 173.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.6 mm -138.06 95.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.402 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.07 -64.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.906 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 11.9 tpt 36.15 86.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.658 1.224 . . . . 0.0 112.06 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 7.8 pt-20 -74.66 51.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -170.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.535 ' OD1' ' HG3' ' A' ' 23' ' ' MET . 28.1 p-10 -132.84 -68.9 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.939 -0.476 . . . . 0.0 110.889 172.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -117.81 -31.76 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.535 0.207 . . . . 0.0 110.937 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.906 ' HB2' ' HB3' ' A' ' 23' ' ' MET . 22.6 mm-40 -62.74 -35.71 80.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 109.944 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -58.96 -30.46 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.115 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.86 -42.16 97.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.425 0.631 . . . . 0.0 109.823 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.91 -36.82 75.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.565 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 11.2 mmt180 -67.58 -33.49 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -65.3 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.946 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 36' ' ' LEU . . . -67.73 -29.17 68.34 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.725 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.54 HG23 ' HB3' ' A' ' 14' ' ' LEU . 1.5 mp -67.68 -40.89 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HA ' ' SD ' ' A' ' 38' ' ' MET . 17.8 mt-30 -74.17 -18.1 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 177.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -72.04 -45.06 62.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.369 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 m -53.98 -40.49 66.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.318 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 35' ' ' GLN . 3.9 ppp? -104.6 37.94 2.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.362 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 15.5 pt20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.752 0.787 . . . . 0.0 112.099 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--O 1.225 -0.234 0 N-CA-C 111.291 0.108 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.36 -42.95 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.07 -36.97 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 110.84 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -80.95 -34.39 33.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.978 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.05 -47.76 83.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.427 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -56.88 -48.1 78.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.694 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.68 -41.06 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.47 -53.57 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.696 ' HA ' HD12 ' A' ' 14' ' ' LEU . 28.2 pt20 -68.75 -29.74 68.21 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.091 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -64.32 -44.39 91.72 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.298 0.374 . . . . 0.0 111.31 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 11' ' ' GLN . 78.1 mt -64.65 -53.21 51.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -65.91 -32.13 73.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.183 0.516 . . . . 0.0 110.335 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 7.0 tt -59.31 -52.46 65.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.313 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 m -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -68.41 -46.09 70.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.712 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -75.52 -10.9 59.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 53.2 mm-40 -73.86 -40.66 63.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 173.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.48 99.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.618 0.723 . . . . 0.0 109.737 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.33 52.66 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.313 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.654 ' HG3' ' H ' ' A' ' 25' ' ' ASP . 44.6 tpp -114.46 151.03 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.79 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.21 6.22 24.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 0.0 111.78 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.654 ' H ' ' HG3' ' A' ' 23' ' ' MET . 36.2 t70 -146.6 136.27 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.972 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 71.22 -18.42 0.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.444 0.698 . . . . 0.0 111.738 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -50.21 -30.05 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.957 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.11 -47.28 71.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.844 0.354 . . . . 0.0 111.229 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.66 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 21.3 m-20 -68.97 -28.51 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.148 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.16 -36.71 72.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.4 mmt180 -62.39 -42.56 99.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.66 ' HD2' ' HA ' ' A' ' 29' ' ' ASP . 95.0 mtt180 -60.65 -29.95 69.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.055 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.1 88.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.95 -38.55 82.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.468 0.651 . . . . 0.0 109.623 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.58 -28.64 68.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.809 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.5 tm? -71.8 -45.16 62.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.077 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.6 m -56.69 -40.44 75.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.869 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.868 ' HG3' ' HG3' ' A' ' 39' ' ' GLN . 21.8 ptm -91.24 -40.64 11.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.868 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 66.1 mt-30 . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.729 0.299 . . . . 0.0 110.795 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 121.416 0.626 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.7 -37.04 77.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.446 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.34 -47.59 84.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.281 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.22 -39.35 89.54 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.35 -46.26 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.014 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.747 ' HA ' HE21 ' A' ' 11' ' ' GLN . 38.1 mt-10 -66.45 -42.96 86.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.56 -36.93 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.705 0.288 . . . . 0.0 110.77 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.14 -54.66 22.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.175 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.747 HE21 ' HA ' ' A' ' 8' ' ' GLU . 29.5 pt20 -62.97 -29.66 70.98 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.74 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.09 -52.71 62.8 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.262 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.68 63.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.298 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB3' HG23 ' A' ' 34' ' ' ILE . 86.1 mt -70.01 -49.02 55.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -62.37 -39.03 91.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.469 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.85 -46.97 88.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.631 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 11.4 p -70.75 -23.84 62.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 0.0 111.126 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 31.4 mtp-105 -61.89 -41.08 97.47 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 9.9 mm100 -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.876 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 19.8 mm-40 -60.6 -34.84 74.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.838 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 23' ' ' MET . 36.5 mm -88.53 -77.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.697 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 3.6 t70 40.91 51.47 3.2 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.019 0.824 . . . . 0.0 111.417 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.683 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 22.2 ttm -135.35 -175.78 4.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 23' ' ' MET . 9.0 pt-20 -126.99 -28.73 2.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 -155.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.9 -97.95 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.806 1.184 . . . . 0.0 111.74 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -79.49 -32.66 42.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.716 0.77 . . . . 0.0 109.412 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.683 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 1.9 mp0 -58.4 -32.21 68.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.915 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.84 75.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.311 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 32' ' ' ARG . 33.6 t70 -66.81 -30.11 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 110.819 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -51.98 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.513 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 12.0 ttp180 -66.6 -29.52 69.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.882 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 37.6 ttm180 -60.0 -45.28 93.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.395 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.5 80.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 14' ' ' LEU . 1.7 mp -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.157 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.11 -28.86 66.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.133 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.9 tm? -65.12 -46.81 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -67.19 -13.74 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.643 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.4 mtt -85.61 -61.09 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.248 179.339 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 5.0 mp . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 122.122 0.963 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.9 m-20 -60.36 -37.02 79.38 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.368 -1.742 . . . . 0.0 111.107 -178.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -55.32 -36.9 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.29 -41.03 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.504 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 39.1 mt-10 -57.46 -40.61 78.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.055 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.19 -45.7 90.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.678 0.275 . . . . 0.0 111.127 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.37 -30.07 63.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.05 0.453 . . . . 0.0 110.636 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -50.27 67.53 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 77.8 mt-30 -63.55 -35.48 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -58.1 -47.34 83.52 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.317 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.47 84.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.4 . . . . 0.0 111.038 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.3 mt -65.34 -50.41 65.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . . . -66.64 -33.86 76.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.487 . . . . 0.0 110.67 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.611 ' HA ' HE21 ' A' ' 19' ' ' GLN . 8.7 tt -57.36 -50.91 71.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 21' ' ' ILE . 25.3 t -64.05 -29.28 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 58.9 mtt180 -64.25 -47.28 80.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 110.971 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.611 HE21 ' HA ' ' A' ' 16' ' ' LEU . 30.2 pt20 -74.32 -12.41 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.063 0.459 . . . . 0.0 110.508 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 45.4 mm-40 -81.37 -18.29 46.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.571 175.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 17' ' ' SER . 47.0 mm -78.01 -82.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.193 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 37.71 55.57 1.52 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.929 0.768 . . . . 0.0 110.735 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.532 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 45.1 ttm -119.43 157.41 28.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.906 -171.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -89.57 -37.6 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 27' ' ' GLU . 31.4 t70 -125.66 153.83 43.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.645 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 43.8 mt-10 72.71 -18.75 0.33 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.329 0.652 . . . . 0.0 112.258 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 23' ' ' MET . 1.8 pp20? -53.66 -26.75 23.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.5 84.17 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.334 0.396 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.71 -46.59 71.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.897 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.61 -39.8 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.504 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -60.54 -46.83 88.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.103 0.478 . . . . 0.0 109.739 175.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -61.06 -39.18 88.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.021 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.44 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.26 -39.38 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.205 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 27.4 mt-30 -70.19 -37.08 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -37.68 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.879 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.6 m -63.0 -11.1 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.323 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.87 -3.7 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 . . . . . 0 C--O 1.235 0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.089 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -78.56 102.35 7.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.104 0.478 . . . . 0.0 110.409 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt -78.22 -31.63 49.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.655 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.0 m-20 -59.36 -34.36 72.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.712 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.02 -53.19 35.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -69.98 -32.84 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 32.6 mt-10 -68.53 -31.35 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.458 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -56.45 -48.96 75.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.064 0.459 . . . . 0.0 110.499 173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 21.2 t70 -75.2 -29.05 60.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.33 -49.96 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.917 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.88 -22.18 61.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.168 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 2.8 tmm_? -63.06 -50.34 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.16 78.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.6 mt -61.61 -51.3 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -62.35 -35.22 78.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.303 0.573 . . . . 0.0 110.531 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 8.7 tt -59.36 -51.16 71.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.963 177.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -67.85 -25.59 65.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 16.4 mtp180 -60.08 -46.51 89.35 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.488 176.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 1.1 pp0? -81.11 -22.8 38.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 37.6 mt-10 -59.88 -54.07 50.47 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.082 0.468 . . . . 0.0 110.28 173.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' A' ' 27' ' ' GLU . 2.1 mp -79.68 -75.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.019 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 21' ' ' ILE . 3.8 t70 36.67 60.61 0.92 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.988 0.805 . . . . 0.0 110.959 -173.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.558 ' HG3' ' OD2' ' A' ' 25' ' ' ASP . 33.7 tpp -144.16 117.62 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.386 -174.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 13.5 mm-40 -91.84 58.6 3.47 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.558 ' OD2' ' HG3' ' A' ' 23' ' ' MET . 1.0 OUTLIER -138.89 -101.3 0.17 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.688 174.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -87.18 -40.94 14.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.566 ' HB3' HG23 ' A' ' 21' ' ' ILE . 43.9 mt-10 -60.52 -23.02 64.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.599 174.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -57.71 -22.89 48.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.03 -43.79 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.5 mp -64.4 -39.89 94.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.336 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -55.69 -44.98 77.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.337 174.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -67.68 -28.69 67.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.404 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.07 -34.57 75.35 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.955 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.23 -42.94 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 8.2 tt0 -60.39 -43.93 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.886 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.9 tm? -58.89 -46.54 87.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.105 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -62.42 -38.17 88.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 ttt -67.49 -25.27 65.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 53.2 mt-30 -73.73 -3.48 28.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.761 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.74 23.83 77.49 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.225 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 m -100.57 114.36 27.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.083 -177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 m -103.49 -149.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.201 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 9.78 2.44 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.081 -0.387 . . . . 0.0 111.538 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -83.28 75.73 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 109.973 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.27 -47.69 6.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.088 0.47 . . . . 0.0 110.563 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.486 -0.768 . . . . 0.0 109.652 179.291 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.912 -0.475 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -147.32 -42.87 0.17 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.659 0.266 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.63 -21.47 60.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.33 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 2.1 m-20 -57.37 -34.63 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.457 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.75 -44.02 90.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.729 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.81 -33.5 46.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.063 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -52.92 -43.5 66.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.526 175.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.41 -37.08 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.35 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -76.12 -39.59 54.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.7 tm? -64.06 -48.28 76.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.864 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 14' ' ' LEU . 77.1 mt-30 -64.97 -33.58 76.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.382 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.5 -50.3 74.11 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -31.55 65.56 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.362 0.414 . . . . 0.0 111.843 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 38' ' ' MET . 93.4 mt -68.19 -53.55 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.528 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.82 84.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.223 0.535 . . . . 0.0 109.769 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.606 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 6.7 tt -56.48 -52.3 65.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.866 176.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 32.9 t -57.14 -35.19 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.217 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -73.04 -40.33 65.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -78.85 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.977 0.418 . . . . 0.0 110.39 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.4 mm-40 -63.26 -60.89 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.029 172.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -132.24 102.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.131 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.2 17.06 11.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 tpt -73.66 118.48 16.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.736 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.809 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 53.2 mt-10 -85.66 72.87 10.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.401 0.619 . . . . 0.0 111.321 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -139.62 -136.82 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.72 -28.39 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 110.089 173.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 79.0 mm-40 -62.25 -31.74 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.734 174.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.809 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -67.51 -26.79 66.52 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.843 -176.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.3 -45.92 87.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.0 110.396 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.15 -41.6 94.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.639 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.2 mmt180 -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -73.24 -39.44 65.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.35 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.49 83.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 0.0 109.996 174.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.01 -37.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.037 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -60.91 -37.82 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.375 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -73.5 -49.55 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.729 177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.5 t -66.85 -10.59 49.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.867 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.535 ' HA ' HD13 ' A' ' 14' ' ' LEU . 62.7 ttp -76.67 -25.59 53.87 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.132 0.491 . . . . 0.0 110.517 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -109.35 168.51 9.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.222 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.37 9.64 14.71 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.091 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -88.88 35.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.46 0.647 . . . . 0.0 110.448 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -133.56 122.42 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.942 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.28 29.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -167.91 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.3 tp -166.96 -54.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.045 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.306 -178.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -118.37 105.24 11.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.72 0.295 . . . . 0.0 110.811 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mp -106.82 -64.17 1.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.585 0.707 . . . . 0.0 109.469 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.0 m-20 -70.74 -33.85 71.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.118 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -47.05 -52.6 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.854 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.78 -24.5 23.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.984 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -55.18 -51.91 65.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.096 0.474 . . . . 0.0 110.702 -177.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.29 -43.12 96.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.516 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.91 -26.03 48.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.021 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.97 -47.99 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -59.05 -43.95 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 109.751 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.06 -47.49 80.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.628 176.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.52 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.1 -52.69 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.887 0.375 . . . . 0.0 110.437 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -67.26 -24.76 65.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.502 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 6.3 tt -61.13 -55.11 36.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.86 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 m -65.62 -30.99 71.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.091 0.472 . . . . 0.0 110.701 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.632 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 66.3 mtp180 -64.17 -49.11 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.983 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.89 -6.87 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.109 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 59.3 mt-10 -88.02 -19.9 26.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.284 174.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 21' ' ' ILE . 2.0 mp 55.08 79.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 121.964 0.887 . . . . 0.0 109.764 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.465 ' OD1' ' HD3' ' A' ' 31' ' ' ARG . 10.6 p-10 -80.99 80.59 7.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.07 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 tpt -132.14 125.48 31.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.472 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.513 ' HB3' ' CD ' ' A' ' 27' ' ' GLU . 10.2 tp10 -173.13 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.27 173.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -140.14 -76.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.194 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.3 -31.24 43.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.791 ' HA ' HD13 ' A' ' 30' ' ' LEU . 1.5 pm0 -67.12 -24.55 65.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.284 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -21.2 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.552 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.88 -31.96 51.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.168 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.791 HD13 ' HA ' ' A' ' 27' ' ' GLU . 8.5 mp -66.47 -42.63 87.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.589 ' NH1' ' HA ' ' A' ' 18' ' ' ARG . 11.6 tpt180 -53.98 -45.79 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.294 174.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.47 -39.99 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.552 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -34.39 74.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.104 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.47 -39.39 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 35' ' ' GLN . 7.0 tt0 -62.02 -38.16 87.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.438 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.0 tm? -74.35 -48.42 28.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.223 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.4 t -63.58 -10.12 16.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.693 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.95 -30.92 69.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.925 0.393 . . . . 0.0 110.644 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -103.76 155.3 18.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.214 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.78 110.12 3.23 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.603 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -73.31 61.64 0.66 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.476 0.655 . . . . 0.0 112.182 -175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -139.35 -20.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.997 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -146.99 170.05 17.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.676 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 58.36 72.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.69 0.757 . . . . 0.0 110.574 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 45' ' ' LEU . 2.6 pt? -82.51 -15.43 52.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.823 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.429 -179.429 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -128.73 22.11 5.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.156 0.503 . . . . 0.0 110.43 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.13 -9.31 58.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.557 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.4 m-20 -61.81 -32.21 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.86 -55.11 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.449 177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -75.84 -33.38 60.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.95 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -51.47 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.471 0.482 . . . . 0.0 112.026 -174.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 111.809 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.37 -46.41 49.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.98 -45.5 85.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.64 -35.3 79.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.105 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -67.12 -43.05 83.38 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 175.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.8 -35.53 70.96 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.575 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' A' ' 38' ' ' MET . 77.4 mt -64.96 -50.91 64.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.329 176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.27 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.445 0.641 . . . . 0.0 110.368 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.658 ' HA ' HE21 ' A' ' 19' ' ' GLN . 6.6 tt -54.41 -54.42 40.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.231 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -62.68 -30.51 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.566 ' HG3' HG21 ' A' ' 34' ' ' ILE . 27.9 mtp180 -65.15 -57.26 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.743 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' A' ' 16' ' ' LEU . 28.8 pt20 -65.95 -27.47 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.348 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.45 -41.02 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.704 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 23' ' ' MET . 47.6 mm -74.92 -70.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.459 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.56 -40.63 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.127 0.892 . . . . 0.0 111.9 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' ILE . 10.3 tpt -54.91 108.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.871 0.868 . . . . 0.0 112.039 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.744 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 41.2 mt-10 -87.86 45.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 111.061 178.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.77 -114.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.32 -34.75 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.87 -23.96 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.733 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.744 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -60.28 -18.31 48.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.857 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.27 -34.72 68.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 0.0 109.903 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.66 -35.7 70.42 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 8.3 tpt180 -56.89 -46.62 81.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.665 171.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -59.76 -45.42 92.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.862 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.16 83.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.483 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.566 HG21 ' HG3' ' A' ' 18' ' ' ARG . 1.4 mp -68.96 -38.75 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.144 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 12.3 mm-40 -65.23 -35.37 80.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.217 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.1 tm? -69.01 -47.75 64.73 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.561 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -62.38 -35.44 79.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.599 ' HA ' HD13 ' A' ' 14' ' ' LEU . 26.4 ttt -59.41 -35.36 73.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 121.024 0.44 . . . . 0.0 110.268 176.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -73.79 -66.09 0.75 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.928 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.4 85.28 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.422 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 p -131.65 20.44 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.053 0.454 . . . . 0.0 110.946 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m -103.94 80.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.606 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -80.86 74.33 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.107 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -150.8 12.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.666 0.746 . . . . 0.0 109.558 170.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.3 71.56 1.38 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.388 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 6.7 pt-20 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.069 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -157.46 -86.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.5 mp -117.96 -96.93 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.79 -50.58 0.14 Allowed 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.2 -44.33 92.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.655 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.48 -34.74 74.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.294 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.57 -39.66 88.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.106 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.66 -31.23 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.618 0.247 . . . . 0.0 110.335 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.17 -46.48 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.6 tm? -62.96 -49.37 74.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.815 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' OE1' HD12 ' A' ' 14' ' ' LEU . 23.7 mm-40 -62.15 -31.87 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.749 177.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 17.2 tpp180 -63.67 -53.16 55.69 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.872 175.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.345 0.403 . . . . 0.0 111.127 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 65.4 mt -66.98 -53.6 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.83 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.63 72.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.261 0.553 . . . . 0.0 110.486 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 tt -60.96 -52.77 63.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 175.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.6 m -58.07 -27.18 63.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.367 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 14' ' ' LEU . 25.9 mmm180 -69.78 -55.16 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.75 -26.09 65.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.441 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HG3' HD23 ' A' ' 16' ' ' LEU . 29.3 mt-10 -60.29 -55.94 27.56 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 111.367 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.3 mm -117.97 -78.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -173.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.1 t0 54.02 88.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.405 0.622 . . . . 0.0 110.243 -170.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ttm -164.94 -178.43 5.2 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.21 63.5 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.474 0.654 . . . . 0.0 111.89 -178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.921 ' H ' ' HB3' ' A' ' 28' ' ' ALA . 2.2 p30 -116.58 -165.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.619 172.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -59.82 -52.02 67.24 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.79 -29.59 29.48 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.335 0.588 . . . . 0.0 110.625 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.921 ' HB3' ' H ' ' A' ' 25' ' ' ASP . . . -65.29 -23.17 66.96 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.909 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.6 -36.21 78.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.083 0.468 . . . . 0.0 110.223 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.01 -40.75 95.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -65.58 -31.46 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.029 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.21 -34.3 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.009 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.38 -32.22 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 HD22 ' A' ' 14' ' ' LEU . 1.5 mp -65.76 -36.84 78.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.599 175.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.79 -37.15 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.928 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -64.71 -47.0 79.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.174 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 p -63.56 -11.84 27.88 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.0 mtt -76.29 -29.44 57.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.526 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -126.71 82.85 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.433 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 66.53 2.76 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.055 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 t -144.6 60.77 1.33 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.408 0.623 . . . . 0.0 110.15 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -79.97 100.91 8.34 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 175.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -147.6 21.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -148.99 -69.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.061 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -77.83 -61.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.158 0.504 . . . . 0.0 109.751 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.411 178.419 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.158 -0.377 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -117.95 -178.56 3.52 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp 59.93 -95.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.442 0.464 . . . . 0.0 111.472 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.0 -40.3 63.7 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.665 0.603 . . . . 0.0 111.569 -175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -50.04 -58.54 5.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.127 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -72.81 -31.18 64.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.662 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.42 -40.99 89.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.949 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.284 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.4 -42.31 92.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.357 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.4 mt -65.33 -46.32 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.485 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.33 -27.03 66.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.672 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.48 -45.23 88.25 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.9 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.716 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.687 ' HG ' HG13 ' A' ' 34' ' ' ILE . 5.2 mp -60.56 -53.77 53.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.835 176.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -71.25 -28.49 64.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.94 -52.74 62.82 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -64.6 -29.97 70.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 13.4 ptt180 -75.31 -29.77 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.664 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -89.82 -23.52 21.68 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' C ' HD12 ' A' ' 21' ' ' ILE . 15.6 mm-40 -79.19 -35.89 41.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.001 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 20' ' ' GLU . 2.1 mp -116.53 113.63 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.249 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -108.44 47.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.912 0.863 . . . . 0.0 108.884 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.4 ttt -105.84 134.05 49.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.712 -174.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 16.2 tp10 -116.42 58.4 0.75 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.524 0.678 . . . . 0.0 109.859 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.73 -148.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.57 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.97 -20.93 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.415 0.626 . . . . 0.0 109.906 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -23.43 42.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.011 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.652 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . . . -57.81 -24.06 55.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.278 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.32 -42.86 87.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.318 0.58 . . . . 0.0 109.854 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.6 -33.3 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.652 ' HG2' ' HA ' ' A' ' 28' ' ' ALA . 24.5 mmt180 -65.51 -37.4 86.67 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -67.57 -33.4 74.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.032 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.9 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.454 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.687 HG13 ' HG ' ' A' ' 14' ' ' LEU . 1.2 mp -66.91 -41.0 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -67.63 -35.76 79.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.35 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -69.22 -44.16 72.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.858 177.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 t -59.57 -26.97 65.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.659 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.0 ttt -80.23 -46.38 16.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.462 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -113.05 92.98 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.479 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.59 96.23 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.108 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.5 m -85.59 135.21 33.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -74.12 62.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.166 0.508 . . . . 0.0 110.944 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HG3' ' H ' ' A' ' 44' ' ' ASN . 2.6 ptp180 -88.41 -69.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.148 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.579 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 9.9 m120 -104.27 59.93 0.72 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.468 0.651 . . . . 0.0 110.578 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -132.83 155.03 49.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.776 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.707 -0.663 . . . . 0.0 109.914 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.016 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -61.21 1.87 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.2 tp -148.84 -3.52 0.45 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.461 -1.245 . . . . 0.0 107.725 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 0.9 OUTLIER -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.921 -173.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.93 -38.44 88.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.067 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.86 -41.7 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.599 175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 4.8 mm-40 -57.01 -32.3 65.99 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.663 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 43.6 mm-40 -59.14 -35.42 73.48 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.057 0.223 . . . . 0.0 111.308 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -78.98 -37.24 39.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.356 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -46.22 82.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.419 0.628 . . . . 0.0 109.955 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -60.52 -36.41 78.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.255 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.66 -43.31 97.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.054 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.966 176.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HB3' HG23 ' A' ' 34' ' ' ILE . 98.4 mt -64.83 -51.59 61.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.434 175.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.49 78.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.092 0.473 . . . . 0.0 110.109 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 8.6 tt -56.85 -51.64 68.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.96 175.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -62.04 -23.68 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 111.171 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.699 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 2.9 ttt180 -84.47 -31.12 24.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.04 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 16' ' ' LEU . 13.3 pt20 -92.17 -16.04 26.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.16 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 36.7 mm-40 -47.7 -66.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.272 173.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.6 mm -138.06 95.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.402 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.07 -64.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.276 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.906 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 11.9 tpt 36.15 86.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.658 1.224 . . . . 0.0 112.06 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 7.8 pt-20 -74.66 51.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -170.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.535 ' OD1' ' HG3' ' A' ' 23' ' ' MET . 28.1 p-10 -132.84 -68.9 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.939 -0.476 . . . . 0.0 110.889 172.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -117.81 -31.76 5.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.535 0.207 . . . . 0.0 110.937 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.906 ' HB2' ' HB3' ' A' ' 23' ' ' MET . 22.6 mm-40 -62.74 -35.71 80.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 109.944 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 24' ' ' GLU . . . -58.96 -30.46 67.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.115 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.86 -42.16 97.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.425 0.631 . . . . 0.0 109.823 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.91 -36.82 75.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.565 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 11.2 mmt180 -67.58 -33.49 75.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -65.3 -33.67 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.946 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 36' ' ' LEU . . . -67.73 -29.17 68.34 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.725 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.54 HG23 ' HB3' ' A' ' 14' ' ' LEU . 1.5 mp -67.68 -40.89 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HA ' ' SD ' ' A' ' 38' ' ' MET . 17.8 mt-30 -74.17 -18.1 60.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 177.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -72.04 -45.06 62.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.369 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 m -53.98 -40.49 66.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.318 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 35' ' ' GLN . 3.9 ppp? -104.6 37.94 2.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.362 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 15.5 pt20 -60.83 100.79 0.12 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.752 0.787 . . . . 0.0 112.099 -175.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.37 -33.16 6.63 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -98.88 107.91 20.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.912 0.387 . . . . 0.0 110.177 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -110.58 42.02 1.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.439 0.638 . . . . 0.0 109.666 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 43' ' ' ARG . 26.5 ttm180 -87.9 -41.8 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.234 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -114.93 59.94 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.773 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.6 tp -118.72 -30.51 5.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.814 -177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.654 -179.08 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -104.91 -52.26 2.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.202 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.95 -28.34 25.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.291 -175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.36 -42.95 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.07 -36.97 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 110.84 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -80.95 -34.39 33.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.978 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.05 -47.76 83.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.427 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -56.88 -48.1 78.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.694 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.68 -41.06 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.47 -53.57 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.696 ' HA ' HD12 ' A' ' 14' ' ' LEU . 28.2 pt20 -68.75 -29.74 68.21 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.091 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -64.32 -44.39 91.72 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.31 -33.52 72.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.298 0.374 . . . . 0.0 111.31 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 11' ' ' GLN . 78.1 mt -64.65 -53.21 51.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . . . -65.91 -32.13 73.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.183 0.516 . . . . 0.0 110.335 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 7.0 tt -59.31 -52.46 65.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.313 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 m -61.11 -29.52 69.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' HD3' ' HA ' ' A' ' 15' ' ' ALA . 56.4 mtp180 -68.41 -46.09 70.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.712 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -75.52 -10.9 59.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 53.2 mm-40 -73.86 -40.66 63.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 173.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.48 99.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.618 0.723 . . . . 0.0 109.737 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.33 52.66 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.313 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.654 ' HG3' ' H ' ' A' ' 25' ' ' ASP . 44.6 tpp -114.46 151.03 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.79 -175.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -109.21 6.22 24.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 0.0 111.78 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.654 ' H ' ' HG3' ' A' ' 23' ' ' MET . 36.2 t70 -146.6 136.27 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.972 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 71.22 -18.42 0.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.444 0.698 . . . . 0.0 111.738 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -50.21 -30.05 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.957 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.11 -47.28 71.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.844 0.354 . . . . 0.0 111.229 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.66 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 21.3 m-20 -68.97 -28.51 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.148 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.16 -36.71 72.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 24.4 mmt180 -62.39 -42.56 99.52 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 174.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.66 ' HD2' ' HA ' ' A' ' 29' ' ' ASP . 95.0 mtt180 -60.65 -29.95 69.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.055 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.1 88.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.95 -38.55 82.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.468 0.651 . . . . 0.0 109.623 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.58 -28.64 68.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.809 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 42' ' ' SER . 1.5 tm? -71.8 -45.16 62.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.077 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.6 m -56.69 -40.44 75.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.869 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.868 ' HG3' ' HG3' ' A' ' 39' ' ' GLN . 21.8 ptm -91.24 -40.64 11.42 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.868 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 66.1 mt-30 -115.54 132.2 56.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.729 0.299 . . . . 0.0 110.795 -174.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.2 55.27 5.0 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.17 -38.32 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.024 0.44 . . . . 0.0 109.825 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.559 ' HB3' HD23 ' A' ' 36' ' ' LEU . 46.6 t -78.84 130.27 35.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.777 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -106.38 -10.37 16.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.32 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -167.37 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.685 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp 70.26 92.37 0.08 Allowed 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.841 0.713 . . . . 0.0 110.018 -177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.408 -178.13 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.134 -0.386 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -95.65 73.25 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.181 0.515 . . . . 0.0 110.384 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.781 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.5 pt? -88.71 19.33 4.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.416 0.626 . . . . 0.0 110.26 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.7 -37.04 77.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.446 -175.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.34 -47.59 84.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.839 0.352 . . . . 0.0 110.281 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.22 -39.35 89.54 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.35 -46.26 89.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.014 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.747 ' HA ' HE21 ' A' ' 11' ' ' GLN . 38.1 mt-10 -66.45 -42.96 86.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.41 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.56 -36.93 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.705 0.288 . . . . 0.0 110.77 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.14 -54.66 22.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.175 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.747 HE21 ' HA ' ' A' ' 8' ' ' GLU . 29.5 pt20 -62.97 -29.66 70.98 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.74 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.09 -52.71 62.8 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.262 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.68 63.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.298 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB3' HG23 ' A' ' 34' ' ' ILE . 86.1 mt -70.01 -49.02 55.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 19' ' ' GLN . . . -62.37 -39.03 91.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.469 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.85 -46.97 88.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.631 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 11.4 p -70.75 -23.84 62.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 0.0 111.126 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 15' ' ' ALA . 31.4 mtp-105 -61.89 -41.08 97.47 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 9.9 mm100 -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.876 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 19.8 mm-40 -60.6 -34.84 74.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.838 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 23' ' ' MET . 36.5 mm -88.53 -77.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.697 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 3.6 t70 40.91 51.47 3.2 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.019 0.824 . . . . 0.0 111.417 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.683 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 22.2 ttm -135.35 -175.78 4.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 23' ' ' MET . 9.0 pt-20 -126.99 -28.73 2.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 -155.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.9 -97.95 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.806 1.184 . . . . 0.0 111.74 -173.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -79.49 -32.66 42.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.716 0.77 . . . . 0.0 109.412 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.683 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 1.9 mp0 -58.4 -32.21 68.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.915 177.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.84 75.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.311 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 32' ' ' ARG . 33.6 t70 -66.81 -30.11 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.941 0.401 . . . . 0.0 110.819 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -51.98 58.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.513 ' NH1' ' HA ' ' A' ' 22' ' ' ASP . 12.0 ttp180 -66.6 -29.52 69.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.882 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 29' ' ' ASP . 37.6 ttm180 -60.0 -45.28 93.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.395 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.76 -35.5 80.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 14' ' ' LEU . 1.7 mp -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.157 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -69.11 -28.86 66.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.133 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.9 tm? -65.12 -46.81 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.777 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -67.19 -13.74 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.643 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.4 mtt -85.61 -61.09 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -134.14 124.07 25.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.248 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.22 33.85 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.821 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -118.3 166.97 11.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.131 0.491 . . . . 0.0 110.983 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.911 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 49.1 m -144.56 176.16 9.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.48 -71.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 111.741 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -105.51 44.07 1.07 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.556 0.693 . . . . 0.0 109.443 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.911 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 54.1 tp -147.49 129.25 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.797 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.646 -177.439 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m 59.56 57.97 3.08 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.926 0.49 . . . . 0.0 111.901 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 5.0 mp -103.14 25.06 9.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.122 0.963 . . . . 0.0 109.914 175.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 4.9 m-20 -60.36 -37.02 79.38 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.368 -1.742 . . . . 0.0 111.107 -178.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -55.32 -36.9 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.29 -41.03 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.504 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 39.1 mt-10 -57.46 -40.61 78.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.055 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.19 -45.7 90.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.678 0.275 . . . . 0.0 111.127 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.37 -30.07 63.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.05 0.453 . . . . 0.0 110.636 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -50.27 67.53 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 77.8 mt-30 -63.55 -35.48 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -58.1 -47.34 83.52 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.317 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.47 84.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.4 . . . . 0.0 111.038 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 94.3 mt -65.34 -50.41 65.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . . . -66.64 -33.86 76.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.487 . . . . 0.0 110.67 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.611 ' HA ' HE21 ' A' ' 19' ' ' GLN . 8.7 tt -57.36 -50.91 71.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 21' ' ' ILE . 25.3 t -64.05 -29.28 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 58.9 mtt180 -64.25 -47.28 80.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 110.971 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.611 HE21 ' HA ' ' A' ' 16' ' ' LEU . 30.2 pt20 -74.32 -12.41 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.063 0.459 . . . . 0.0 110.508 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 45.4 mm-40 -81.37 -18.29 46.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.571 175.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 17' ' ' SER . 47.0 mm -78.01 -82.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.193 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 37.71 55.57 1.52 Allowed 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.929 0.768 . . . . 0.0 110.735 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.532 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 45.1 ttm -119.43 157.41 28.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.906 -171.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -89.57 -37.6 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 27' ' ' GLU . 31.4 t70 -125.66 153.83 43.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.645 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 43.8 mt-10 72.71 -18.75 0.33 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.329 0.652 . . . . 0.0 112.258 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 23' ' ' MET . 1.8 pp20? -53.66 -26.75 23.81 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.5 84.17 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.334 0.396 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.71 -46.59 71.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.897 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.61 -39.8 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.504 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -60.54 -46.83 88.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.103 0.478 . . . . 0.0 109.739 175.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -61.06 -39.18 88.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.021 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.44 92.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.26 -39.38 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.205 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 27.4 mt-30 -70.19 -37.08 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -37.68 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.879 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.6 m -63.0 -11.1 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.323 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 82.4 mtp -92.87 -3.7 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -105.14 169.35 8.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.69 -95.99 0.15 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.102 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 p -85.61 70.91 10.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.416 . . . . 0.0 111.943 -172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 m -62.55 -39.39 93.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.119 0.485 . . . . 0.0 110.463 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 43' ' ' ARG . 23.9 ttt-85 -161.92 22.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.488 0.661 . . . . 0.0 109.77 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 63.6 t30 -143.3 133.67 24.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.119 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 44' ' ' ASN . 4.1 mm? 70.71 85.55 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.98 0.8 . . . . 0.0 111.184 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.123 -0.941 . . . . 0.0 111.825 177.845 . . . . . . . . 0 0 . 1 stop_ save_