data_6ti5_residue ############################ # Computer software used # ############################ 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 6ti5 _Structure_validation_residue.Date_analyzed 2020-07-17 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 ' 12' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 39.4 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -104.4 116.26 31.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 10.0 111.772 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -124.51 80.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.99 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -103.1 125.77 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.584 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -135.57 126.32 27.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.098 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -124.26 120.08 31.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 HG13 ' B' ' 18' ' ' VAL . 11.0 p -133.15 128.81 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.417 0.627 . . . . 10.0 111.729 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.24 118.6 31.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.57 109.94 22.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.265 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.56 109.64 21.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 10.0 111.023 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.758 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 5.5 tp10 -96.92 106.19 18.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -106.54 132.79 52.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.728 0.299 . . . . 10.0 111.311 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 23' ' ' ASP . 6.7 t -125.25 29.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.801 0.81 . . . . 10.0 110.082 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -78.03 122.77 6.1 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.796 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -28.72 10.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.706 -0.29 . . . . 10.0 111.613 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -133.9 116.37 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.014 0.376 . . . . 10.0 112.014 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 60.5 mttp 61.27 95.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -19.21 79.92 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.416 -1.074 . . . . 10.0 110.416 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.96 -122.01 0.25 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -121.08 128.66 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 10.0 112.069 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.515 HD12 HD11 ' B' ' 32' ' ' ILE . 2.8 tt -137.61 129.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.99 118.18 3.72 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.918 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.66 105.68 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.47 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.2 mpt? -110.88 111.69 23.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.995 0.426 . . . . 10.0 111.455 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.5 t -114.3 110.43 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.73 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.16 106.83 1.1 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.42 95.95 0.53 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.968 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -99.09 127.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 10.0 111.075 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' B' ' 40' ' ' VAL . 26.2 m . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.965 0.412 . . . . 10.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 21.3 t -110.3 124.5 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.563 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -118.48 115.85 25.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.456 ' HD2' HG12 ' B' ' 12' ' ' VAL . 3.8 m-70 -119.29 114.94 23.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.752 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -130.88 123.43 28.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.201 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.38 122.54 33.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.363 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.439 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.9 mp -114.14 109.08 17.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.449 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.482 ' HB ' HG13 ' C' ' 18' ' ' VAL . 8.1 t -119.4 118.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -122.6 129.25 51.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.888 0.375 . . . . 10.0 111.324 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -108.65 119.69 40.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.689 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.09 103.58 7.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.703 0.287 . . . . 10.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.758 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 21.4 tt0 -101.62 122.0 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.31 146.31 42.51 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.763 0.665 . . . . 10.0 109.324 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.9 t -128.54 20.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.415 0.626 . . . . 10.0 109.806 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -67.47 85.06 0.14 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.789 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -32.85 72.93 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.707 0.289 . . . . 10.0 111.605 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.75 112.67 16.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 94.8 mttt 61.53 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -19.36 78.1 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 110.829 -0.909 . . . . 10.0 110.829 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.77 -108.64 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.037 0.754 . . . . 10.0 113.037 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 97.1 mt -139.44 105.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.368 0.604 . . . . 10.0 111.608 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.689 HG22 HG12 ' C' ' 32' ' ' ILE . 43.7 pt -119.33 139.3 47.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.086 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.91 136.24 7.86 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.419 -0.896 . . . . 10.0 113.498 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.1 mp -129.22 121.3 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.47 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -120.03 119.4 33.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.433 . . . . 10.0 111.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.88 114.48 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.598 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.59 109.78 1.82 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.931 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 116.06 3.17 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.614 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.92 115.19 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.622 ' HB ' HG12 ' A' ' 40' ' ' VAL . 61.1 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.407 . . . . 10.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.44 118.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.773 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -115.34 122.37 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.687 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -124.43 103.75 8.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.708 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -118.67 122.99 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.635 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.47 ' HD3' ' HE3' ' D' ' 16' ' ' LYS . 61.0 mtpt -130.03 127.28 39.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.201 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.11 115.88 24.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.682 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.482 HG13 ' HB ' ' B' ' 18' ' ' VAL . 2.5 t -126.07 115.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 10.0 110.891 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -117.75 128.46 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.936 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.64 110.22 21.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.13 108.02 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -112.62 115.85 29.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.345 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -107.92 157.03 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.538 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.75 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.4 t -135.03 26.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.235 0.541 . . . . 10.0 109.815 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.648 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.57 77.39 0.37 Allowed Glycine 0 C--O 1.224 -0.509 0 CA-C-N 115.791 -0.64 . . . . 10.0 114.108 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.661 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 0.9 OUTLIER -54.92 -32.12 60.84 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -126.15 113.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.585 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 94.6 mttt 61.05 99.79 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.471 1.285 . . . . 10.0 114.471 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.09 -21.7 77.07 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 110.22 -1.152 . . . . 10.0 110.22 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.35 -116.85 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 18.2 mt -131.73 108.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.957 0.408 . . . . 10.0 111.755 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.689 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -120.43 140.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.129 -0.322 . . . . 10.0 110.129 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.2 127.31 4.32 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.35 -0.929 . . . . 10.0 113.018 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.1 mp -122.23 111.41 16.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -113.68 119.5 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.185 0.517 . . . . 10.0 111.459 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -113.1 122.35 67.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.682 . . . . 10.0 109.625 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.67 109.46 1.24 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.104 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.35 114.86 3.07 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.743 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 t -114.15 114.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.412 ' O ' HD13 ' K' ' 31' ' ' ILE . 80.6 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.464 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 t -125.86 114.65 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.537 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -116.92 122.25 43.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 10.0 111.51 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -122.32 108.75 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.335 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -121.59 125.67 47.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.683 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.624 ' HB2' ' HG2' ' E' ' 16' ' ' LYS . 14.0 mptt -126.04 126.84 44.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 10.0 111.717 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' E' ' 17' ' ' LEU . 3.8 mm? -115.13 108.49 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 10.5 t -122.12 117.01 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.33 . . . . 10.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -123.85 128.38 49.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.376 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.62 119.87 40.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.325 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.88 101.98 6.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 10.0 110.042 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -107.92 116.99 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 2.4 t70 -112.67 161.21 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.919 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' E' ' 26' ' ' SER . 1.6 t -138.35 31.02 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.177 0.513 . . . . 10.0 109.69 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.646 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -74.4 75.19 1.21 Allowed Glycine 0 C--O 1.22 -0.761 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.36 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.75 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.8 OUTLIER -54.25 -21.92 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.477 0.918 . . . . 10.0 113.477 -178.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -134.96 109.01 8.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 99.8 mttt 64.61 102.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 -21.06 80.08 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.117 -0.793 . . . . 10.0 111.117 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.97 -117.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 69.7 mt -132.88 111.09 16.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.352 0.596 . . . . 10.0 112.11 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.5 pt -118.89 143.84 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.897 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.89 119.98 1.94 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.597 -0.811 . . . . 10.0 113.003 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.32 117.56 32.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.588 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 16.4 mmt -116.27 108.47 16.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.048 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -107.97 109.54 28.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.028 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -116.82 114.72 3.09 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.33 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.24 118.25 3.49 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.107 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.52 118.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.878 0.37 . . . . 10.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.431 ' O ' HD13 ' L' ' 31' ' ' ILE . 62.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.036 0.446 . . . . 10.0 110.74 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 t -107.59 99.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.59 121.44 42.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.859 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -123.62 110.58 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.01 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -129.61 122.13 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.043 0.449 . . . . 10.0 111.22 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . 0.792 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 79.1 mttt -128.81 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.252 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.573 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.9 mp -124.15 112.35 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.754 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 14.6 t -122.04 122.34 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.412 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 10.5 m-85 -120.84 133.26 55.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.217 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.22 122.5 47.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.31 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.87 102.64 6.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.975 0.417 . . . . 10.0 109.972 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.54 118.65 37.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.952 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -111.46 164.04 13.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' F' ' 26' ' ' SER . 4.8 t -137.82 10.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 10.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.61 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -60.69 90.59 0.05 OUTLIER Glycine 0 C--O 1.218 -0.866 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.747 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.626 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.2 m -69.68 -6.78 33.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -149.37 118.03 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.911 -0.131 . . . . 10.0 111.194 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.735 ' O ' ' HA ' ' F' ' 28' ' ' LYS . 56.2 mttt 58.74 91.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.84 -23.8 67.73 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.705 -0.958 . . . . 10.0 110.705 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.518 ' HB2' ' HG3' ' F' ' 28' ' ' LYS . . . 77.06 -129.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.752 0.821 . . . . 10.0 113.05 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 8.6 mm -114.88 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.399 . . . . 10.0 111.772 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.661 HG22 ' HB ' ' F' ' 32' ' ' ILE . 20.8 pt -130.55 131.93 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.314 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.53 132.38 6.74 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.604 -0.808 . . . . 10.0 113.074 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.76 111.72 17.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.41 ' HB2' ' SD ' ' F' ' 35' ' ' MET . 1.9 mpt? -112.38 115.56 28.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.962 0.411 . . . . 10.0 111.285 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.36 118.06 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.0 109.0 1.54 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.15 -0.547 . . . . 10.0 112.092 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.05 113.94 2.77 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.26 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.89 114.22 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 35.4 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.811 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.023 0.44 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -126.05 118.94 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.315 0.578 . . . . 10.0 111.006 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.424 ' NE2' ' HB2' ' F' ' 15' ' ' GLN . 35.2 t60 -113.9 123.98 51.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.352 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -124.34 108.46 12.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.906 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.424 ' HB2' ' NE2' ' F' ' 13' ' ' HIS . 47.0 tt0 -127.94 120.21 27.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.781 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.792 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 54.2 mtmt -131.97 129.17 39.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.102 0.477 . . . . 10.0 111.332 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -121.77 127.04 50.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.798 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' G' ' 18' ' ' VAL . 6.0 p -136.22 120.34 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.482 0.658 . . . . 10.0 111.082 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -117.65 130.79 56.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.563 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.72 110.96 22.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.508 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.19 99.07 6.63 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -114.1 118.54 34.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.174 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.83 168.2 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 3.3 t -133.67 2.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.806 0.336 . . . . 10.0 110.527 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 103.04 0.19 Allowed Glycine 0 C--O 1.216 -0.996 0 C-N-CA 121.317 -0.468 . . . . 10.0 112.144 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 29.7 m -82.01 6.39 16.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 -177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -155.25 117.72 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.735 ' HA ' ' O ' ' E' ' 28' ' ' LYS . 46.7 tttt 54.52 96.4 0.02 OUTLIER 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.679 1.362 . . . . 10.0 114.679 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -22.35 70.5 Favored Glycine 0 C--N 1.331 0.299 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.76 -104.07 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 29.4 mt -134.88 107.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 10.0 111.402 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.661 ' HB ' HG22 ' E' ' 32' ' ' ILE . 60.6 mt -126.43 127.78 70.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 10.0 109.881 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.89 135.03 7.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.807 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.458 ' HG ' HD13 ' G' ' 34' ' ' LEU . 5.7 mp -121.35 115.1 22.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.62 ' HG3' ' HA3' ' N' ' 37' ' ' GLY . 16.7 mmt -112.31 116.1 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.838 0.351 . . . . 10.0 110.501 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -116.32 112.39 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.015 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.663 ' HA3' ' HG3' ' N' ' 35' ' ' MET . . . -117.65 114.77 3.02 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.997 -0.62 . . . . 10.0 112.668 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 114.02 2.41 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.0 -0.619 . . . . 10.0 111.99 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 44.7 t -117.53 117.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 4.5 p . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 120.642 0.258 . . . . 10.0 111.308 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.623 0.249 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 106.24 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -114.2 121.7 44.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 10.0 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.87 105.32 9.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.987 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' H' ' 15' ' ' GLN . 16.5 tt0 -123.51 125.62 45.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 10.0 111.024 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 48.6 mtmt -131.9 133.18 44.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.773 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.09 118.82 30.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' F' ' 18' ' ' VAL . 4.4 t -125.88 124.49 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 111.346 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.33 126.41 43.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.4 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -110.57 111.01 21.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.734 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.98 103.5 8.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.51 115.0 20.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.705 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -124.72 125.74 44.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 3.6 t -82.71 65.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.765 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -67.25 170.07 35.03 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.377 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -141.38 -49.12 0.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.059 0.457 . . . . 10.0 109.903 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.23 124.13 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 39.9 ttmt 64.27 98.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 -18.67 77.08 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 110.943 -0.863 . . . . 10.0 110.943 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.34 -120.08 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 58.6 mt -130.55 113.54 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.191 0.52 . . . . 10.0 111.967 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 42.7 mt -125.77 126.16 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 116.11 2.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.622 -0.799 . . . . 10.0 112.448 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.458 HD13 ' HG ' ' F' ' 34' ' ' LEU . 6.1 mp -98.8 125.94 44.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.1 mmt -122.2 113.97 20.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.813 0.339 . . . . 10.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.412 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.5 t -115.31 113.4 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.798 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.52 111.36 2.03 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.422 -0.894 . . . . 10.0 112.926 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 122.94 5.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 17.2 t -125.48 119.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.472 ' O ' HD13 ' O' ' 31' ' ' ILE . 59.6 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.211 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.645 0.259 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.53 123.68 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.381 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -127.0 127.28 44.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.936 0.398 . . . . 10.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -119.71 124.06 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.417 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' G' ' 15' ' ' GLN . 61.4 tt0 -141.5 124.65 16.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 10.0 111.232 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -137.01 117.38 13.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.369 0.604 . . . . 10.0 111.584 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.09 111.0 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 28.8 t -121.02 124.02 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -130.03 140.95 50.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.714 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -118.41 118.52 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.102 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.34 107.18 10.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.065 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.05 137.7 54.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.26 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.03 -175.43 4.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.354 . . . . 10.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.87 56.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.381 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -76.88 81.67 1.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.905 -0.589 . . . . 10.0 112.026 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -57.61 -44.72 85.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 10.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -135.61 118.78 16.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt 67.97 96.28 0.06 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.794 0.684 . . . . 10.0 111.739 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.44 6.75 35.75 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.237 -0.506 . . . . 10.0 112.513 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.27 -159.11 0.3 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.113 0.565 . . . . 10.0 111.815 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 60.1 mt -110.43 104.45 17.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 48.0 pt -121.2 151.51 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.25 111.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.705 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.1 106.97 18.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.604 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 5.5 ptp -120.33 128.05 52.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.097 0.475 . . . . 10.0 112.143 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.67 140.02 50.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.276 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.65 132.17 6.35 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.586 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.23 119.1 2.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.721 -0.551 . . . . 10.0 111.721 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 43.5 t -124.05 124.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . 0.411 HG23 HG13 ' G' ' 40' ' ' VAL . 5.0 m . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.624 0.25 . . . . 10.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 t -94.48 107.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -109.98 110.43 21.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.726 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -120.9 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.317 0.58 . . . . 10.0 109.964 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.407 ' HG3' ' HB3' ' J' ' 15' ' ' GLN . 46.4 tt0 -114.67 133.11 56.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.955 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.513 ' HG3' ' HG2' ' J' ' 16' ' ' LYS . 12.2 ptpt -147.6 137.03 22.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.189 0.519 . . . . 10.0 111.676 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.22 125.11 48.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.685 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -125.47 116.49 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.014 0.435 . . . . 10.0 111.047 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.1 125.94 54.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.47 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.09 107.19 17.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.518 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.97 97.55 7.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.41 . . . . 10.0 110.357 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -96.85 107.89 20.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.839 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -104.86 142.56 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 111.533 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' J' ' 23' ' ' ASP . 5.7 t -129.04 31.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.872 0.844 . . . . 10.0 109.239 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -75.78 121.62 6.38 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.593 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -84.06 -45.02 13.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 10.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.07 141.44 30.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 66.8 mttm 61.1 87.05 0.1 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.546 -1.206 . . . . 10.0 113.365 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 -24.76 75.25 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.46 -137.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.5 129.31 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.13 0.491 . . . . 10.0 112.07 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -138.26 122.55 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.0 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.84 117.68 4.11 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.649 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.44 103.36 9.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.574 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.1 mpt? -111.55 117.83 34.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 10.0 112.031 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -116.53 108.23 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.405 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.92 104.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.433 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 99.89 0.99 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.31 112.11 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.71 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.854 0.359 . . . . 10.0 111.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -121.06 111.2 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -113.51 119.78 38.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.115 0.483 . . . . 10.0 111.576 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -123.54 112.76 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 25.7 tt0 -129.26 126.12 38.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.019 0.437 . . . . 10.0 111.346 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.578 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 58.0 mttt -126.22 126.23 43.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -119.16 101.52 8.06 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.72 117.52 55.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.992 0.425 . . . . 10.0 110.799 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.98 125.48 47.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.456 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.73 120.46 40.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.73 104.2 7.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.825 0.345 . . . . 10.0 110.447 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.35 124.27 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -117.01 148.15 41.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.863 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.9 t -129.1 19.71 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 10.0 110.11 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 84.53 0.1 Allowed Glycine 0 C--O 1.227 -0.343 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.428 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -68.36 -31.47 70.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -129.09 111.91 13.44 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.083 -0.247 . . . . 10.0 111.12 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.653 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 68.1 mttt 64.74 103.62 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.61 -20.43 76.61 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.37 -97.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 2.1 tp -152.14 102.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.514 0.673 . . . . 10.0 111.873 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.647 HG22 HG12 ' K' ' 32' ' ' ILE . 47.7 pt -115.99 140.56 37.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -139.24 132.18 5.56 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.238 -0.982 . . . . 10.0 113.548 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.1 mp -128.76 119.27 24.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.574 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -124.57 118.87 27.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.861 0.362 . . . . 10.0 111.223 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.538 HG23 ' HB ' ' K' ' 36' ' ' VAL . 4.1 p -118.52 118.25 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.126 0.488 . . . . 10.0 110.364 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.73 118.72 4.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.935 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 109.7 1.57 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.322 -0.711 . . . . 10.0 111.322 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.01 113.34 43.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.436 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.224 0.535 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -116.84 123.94 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.177 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' L' ' 40' ' ' VAL . 80.3 t60 -120.25 118.88 31.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -121.06 103.16 8.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.156 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -120.82 120.9 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 10.0 111.023 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . 0.578 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 40.6 mtmt -129.13 128.71 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.384 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.29 113.44 20.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.608 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 t -122.4 115.59 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.19 0.519 . . . . 10.0 110.55 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -117.4 129.99 56.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.62 115.71 30.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.95 109.29 12.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.107 0.479 . . . . 10.0 109.949 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -114.69 118.92 35.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -109.64 153.88 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . 0.689 ' O ' ' HA ' ' L' ' 26' ' ' SER . 3.7 t -131.17 25.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.376 0.608 . . . . 10.0 109.755 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . 0.643 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -67.72 77.39 0.2 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.676 -0.693 . . . . 10.0 113.313 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 26' ' ' SER . . . . . 0.67 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 2.3 m -56.35 -28.7 59.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -131.8 116.88 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.0 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.688 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 88.0 mttt 59.29 95.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.126 1.158 . . . . 10.0 114.126 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.88 73.8 Favored Glycine 0 C--N 1.33 0.247 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.1 -119.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 5.6 mt -126.63 111.32 25.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.877 0.37 . . . . 10.0 111.958 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.647 HG12 HG22 ' J' ' 32' ' ' ILE . 11.8 pt -123.32 137.23 57.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -133.73 126.49 4.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.334 -0.936 . . . . 10.0 113.332 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.548 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -122.43 114.93 21.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -118.07 121.4 40.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 10.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.538 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -113.92 125.42 71.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.723 -0.672 . . . . 10.0 109.626 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 106.07 0.89 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 121.021 -0.609 . . . . 10.0 111.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.16 113.4 3.04 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.811 -0.709 . . . . 10.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.77 114.23 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.739 0.305 . . . . 10.0 110.241 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.417 ' O ' HD13 ' C' ' 31' ' ' ILE . 39.1 t . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.348 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.342 -0.244 . . . . 10.0 110.342 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 115.27 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -117.43 121.67 41.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.95 0.405 . . . . 10.0 111.337 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . 0.644 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 5.0 m-70 -121.15 107.86 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.267 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -121.44 125.67 47.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . 0.644 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -129.68 125.5 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.068 0.461 . . . . 10.0 111.751 -179.599 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.9 mm? -112.61 113.12 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.349 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.8 t -123.07 116.68 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 10.0 110.523 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -123.16 125.93 46.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.851 0.358 . . . . 10.0 111.573 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.33 117.67 34.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.312 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.54 100.52 6.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 10.0 110.197 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -108.2 115.98 31.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.256 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.89 160.43 16.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.801 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 0.8 OUTLIER -138.97 32.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.012 178.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . 0.677 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -74.42 77.43 1.05 Allowed Glycine 0 C--O 1.22 -0.777 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.085 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 26' ' ' SER . . . . . 0.689 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.2 OUTLIER -52.3 -25.27 9.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -179.116 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -134.78 111.55 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.824 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.688 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.0 mttt 65.13 104.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -22.78 78.71 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.635 -0.986 . . . . 10.0 110.635 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.58 -106.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.154 1.168 . . . . 10.0 114.154 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 26.8 mt -142.56 110.05 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.166 0.508 . . . . 10.0 111.544 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 pt -119.9 142.78 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.112 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.26 121.81 2.39 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.791 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -118.2 118.18 31.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 0.435 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.6 mpt? -119.89 108.9 14.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.974 0.416 . . . . 10.0 111.192 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.45 109.09 26.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.826 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.588 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.29 114.29 3.24 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.431 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.05 120.11 4.24 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.144 -0.55 . . . . 10.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.15 121.02 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.166 0.508 . . . . 10.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -104.79 100.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.308 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . 0.407 ' CE1' HG21 ' N' ' 40' ' ' VAL . 4.4 t60 -102.24 121.79 42.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.941 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -122.91 108.47 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.086 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.92 120.0 30.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.833 0.349 . . . . 10.0 110.535 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -131.03 126.19 35.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.128 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -121.88 117.1 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.768 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 11.0 t -124.38 121.17 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.812 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -118.26 134.73 54.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.067 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -114.74 113.26 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.394 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 110.72 15.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.89 0.376 . . . . 10.0 110.176 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.78 123.19 45.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.056 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -112.42 163.86 13.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' N' ' 26' ' ' SER . 3.5 t -139.0 12.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.949 0.404 . . . . 10.0 110.215 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.677 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -61.34 97.81 0.15 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.927 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -66.78 -19.08 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.01 0.405 . . . . 10.0 112.07 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -141.91 119.94 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.716 0.294 . . . . 10.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 23.3 mttt 59.96 95.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.81 -18.58 72.51 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.42 -131.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 42.0 mt -117.55 113.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.153 0.502 . . . . 10.0 112.342 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.581 HG22 ' HB ' ' N' ' 32' ' ' ILE . 28.3 pt -127.3 137.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.09 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.62 134.56 7.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.849 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.16 108.9 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' N' ' 35' ' ' MET . 2.0 mpt? -111.65 117.99 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.053 0.454 . . . . 10.0 111.241 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -113.61 118.48 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.835 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.62 108.12 1.54 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.209 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.15 110.4 2.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.25 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.6 117.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.382 0.134 . . . . 10.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -125.07 117.95 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 10.0 111.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . 0.669 ' HE1' HG21 ' O' ' 40' ' ' VAL . 21.9 t60 -114.3 120.26 39.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.566 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.19 108.65 14.48 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . 0.46 ' HB2' ' NE2' ' N' ' 13' ' ' HIS . 35.3 tt0 -127.43 119.05 25.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.93 0.395 . . . . 10.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -132.65 130.25 39.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.497 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -123.94 117.61 25.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.685 -0.688 . . . . 10.0 109.973 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.65 119.35 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.565 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -120.28 124.22 45.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.25 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -105.48 114.73 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.432 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.83 105.61 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . 0.48 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 42.5 tt0 -122.62 121.81 37.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.617 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -116.62 162.26 17.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' O' ' 24' ' ' VAL . 2.7 t -127.47 4.64 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.69 0.281 . . . . 10.0 110.966 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 105.93 0.48 Allowed Glycine 0 C--O 1.215 -1.045 0 N-CA-C 111.507 -0.637 . . . . 10.0 111.507 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 26' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 1.3 m -83.1 11.79 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -165.63 124.31 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.696 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 21.9 tptm 60.47 87.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 124.054 0.846 . . . . 10.0 113.09 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -23.45 68.58 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.594 -0.812 . . . . 10.0 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.58 -108.09 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 18.5 mt -135.28 107.06 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.422 . . . . 10.0 111.443 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.581 ' HB ' HG22 ' M' ' 32' ' ' ILE . 56.8 mt -124.5 127.88 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.07 134.61 7.81 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.889 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.503 ' HG ' HD13 ' O' ' 34' ' ' LEU . 5.8 mp -120.14 115.92 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.663 ' HG3' ' HA3' ' F' ' 37' ' ' GLY . 19.5 mmt -113.3 114.5 26.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 10.0 110.39 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 t -114.96 110.91 33.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.069 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.62 ' HA3' ' HG3' ' F' ' 35' ' ' MET . . . -116.02 116.56 3.67 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.667 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.69 114.53 2.36 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.217 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 50.9 t -116.18 118.28 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 2.9 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.194 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' P' ' 12' ' ' VAL . 16.9 t -131.05 109.37 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.921 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -113.91 123.12 48.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.57 100.89 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.257 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -116.02 118.34 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 10.0 110.783 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -127.62 126.54 42.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.44 121.38 38.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.974 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.4 t -128.97 129.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.549 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.67 130.88 49.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -113.58 104.83 12.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.222 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.17 105.99 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' N' ' 22' ' ' GLU . 57.2 tt0 -130.03 120.59 24.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.09 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -127.12 129.34 47.75 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.451 ' HA ' ' CG2' ' N' ' 24' ' ' VAL . 3.6 t -86.94 63.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.36 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -67.22 167.04 40.39 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.6 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -134.16 -44.8 0.78 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.146 0.498 . . . . 10.0 109.774 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' P' ' 27' ' ' ASN . 7.3 t30 -144.99 122.95 12.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.06 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.696 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 35.8 ttmt 66.09 104.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.54 -13.91 83.02 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.798 -0.921 . . . . 10.0 110.798 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.51 -118.13 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 18.7 mt -131.85 113.25 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.232 0.539 . . . . 10.0 111.654 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mt -122.94 130.33 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.048 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.51 112.34 1.25 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.503 HD13 ' HG ' ' N' ' 34' ' ' LEU . 5.8 mp -96.1 123.63 39.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -120.68 112.08 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.703 0.287 . . . . 10.0 110.834 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.84 111.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.47 107.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 125.19 6.33 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.458 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 22.5 t -126.83 121.6 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.669 HG21 ' HE1' ' N' ' 13' ' ' HIS . 3.2 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' O' ' 12' ' ' VAL . 9.5 p -128.15 125.15 63.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -119.45 124.73 47.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.13 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -120.05 112.83 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.085 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -122.25 124.19 43.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.92 111.16 13.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.18 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.72 114.98 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.119 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.7 p -137.63 132.07 44.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 10.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.19 137.32 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -114.83 120.61 40.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.466 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 112.97 10.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.023 0.439 . . . . 10.0 111.031 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -128.63 144.19 51.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -141.7 -176.06 4.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.928 0.394 . . . . 10.0 110.312 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.19 54.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.95 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . 0.534 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -75.98 83.9 0.93 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.374 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.85 -49.51 73.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.599 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' O' ' 27' ' ' ASN . 7.4 t30 -131.66 115.15 15.67 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.243 -0.286 . . . . 10.0 111.579 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' P' ' 30' ' ' ALA . 24.7 ttmt 67.43 98.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.074 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.78 11.59 33.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.135 -0.555 . . . . 10.0 112.135 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.432 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 61.48 -158.78 0.33 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.227 0.611 . . . . 10.0 111.786 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 3.0 mp -102.65 108.56 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tt -122.82 131.33 73.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.448 . . . . 10.0 111.071 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 135.93 9.15 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.946 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.01 106.02 13.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.431 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.4 mpt? -100.31 114.53 28.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.922 0.391 . . . . 10.0 111.584 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -116.77 126.95 74.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.426 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . 0.604 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -134.69 135.37 7.91 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.373 -0.918 . . . . 10.0 112.515 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.17 112.77 0.73 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.075 -0.583 . . . . 10.0 111.766 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 42.6 t -119.59 122.46 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.688 0.28 . . . . 10.0 110.326 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.964 -0.541 . . . . 10.0 111.126 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 18.2 t . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.587 ' HE1' HG11 ' B' ' 40' ' ' VAL . 44.1 t60 -102.51 109.95 21.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.1 0.476 . . . . 10.0 111.849 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.4 ' HD2' HG12 ' A' ' 12' ' ' VAL . 46.4 m-70 -120.7 106.36 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.336 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.02 130.68 55.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.835 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HG2' ' B' ' 16' ' ' LYS . 56.6 mttm -131.32 123.28 27.96 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.102 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -130.86 120.48 23.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' CG1' HG12 ' B' ' 18' ' ' VAL . 14.3 p -146.81 128.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.597 0.713 . . . . 10.0 111.909 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -111.83 127.69 55.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.767 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.49 90.99 3.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.38 94.74 5.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.298 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -99.23 118.75 36.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.128 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -112.56 155.69 23.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.016 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 23' ' ' ASP . 3.8 t -122.16 39.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.716 -0.846 . . . . 10.0 108.716 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.625 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -72.86 85.45 0.56 Allowed Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.597 -0.729 . . . . 10.0 112.47 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -34.76 72.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.722 0.296 . . . . 10.0 111.54 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.38 112.88 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.8 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 65.3 mttp 61.75 103.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.01 74.58 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.259 -1.137 . . . . 10.0 110.259 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.73 -129.56 0.08 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HB ' HG12 ' B' ' 31' ' ' ILE . 23.7 mt -109.09 133.28 54.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.165 0.507 . . . . 10.0 111.862 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tt -141.04 139.67 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.805 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -133.68 107.81 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.492 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.5 102.87 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.493 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.1 mpt? -110.49 95.45 5.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.615 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.71 95.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.35 112.41 4.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.743 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.91 109.87 2.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 ' HA3' ' I' ' 33' ' ' GLY . 13.5 t -116.21 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.904 0.383 . . . . 10.0 110.034 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.647 179.482 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.674 0.273 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.61 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 9.3 t -104.82 109.55 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.425 ' CE1' HG11 ' C' ' 40' ' ' VAL . 46.7 t60 -114.04 116.46 29.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.654 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -123.98 115.11 20.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.129 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -129.34 120.32 25.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.194 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 61.5 mtpt -124.71 123.54 40.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.338 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.466 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -118.48 111.13 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.541 HG23 HG13 ' C' ' 18' ' ' VAL . 2.3 m -121.53 115.82 47.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 10.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.3 128.12 55.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.814 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -108.28 123.82 49.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.816 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.79 106.92 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.851 0.358 . . . . 10.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -103.27 124.97 49.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -116.0 154.76 29.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.779 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.734 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.8 t -135.11 20.42 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.446 0.641 . . . . 10.0 109.301 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.625 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -67.89 83.39 0.16 Allowed Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.61 -0.723 . . . . 10.0 113.254 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -69.11 -23.04 63.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.528 0.204 . . . . 10.0 111.266 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -133.75 107.25 7.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.659 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 96.7 mttt 63.95 108.38 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.07 -13.86 82.9 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.641 -0.984 . . . . 10.0 110.641 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.68 -105.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.091 0.774 . . . . 10.0 113.091 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 84.1 mt -143.54 101.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 10.0 110.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.735 HG22 HG12 ' C' ' 32' ' ' ILE . 49.5 pt -115.05 137.86 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.694 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.32 134.89 7.28 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.349 -0.929 . . . . 10.0 113.471 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.551 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.6 mp -132.44 114.36 14.23 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.493 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -113.39 126.29 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.352 0.596 . . . . 10.0 111.693 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.26 126.62 74.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.653 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.11 99.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.971 -0.633 . . . . 10.0 111.75 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.92 108.93 2.48 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.842 -0.694 . . . . 10.0 111.73 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.41 HG21 ' HA3' ' J' ' 33' ' ' GLY . 21.1 t -116.37 117.82 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.878 0.37 . . . . 10.0 110.524 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.587 HG11 ' HE1' ' A' ' 13' ' ' HIS . 58.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.705 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.17 114.82 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.54 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -118.85 118.7 32.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.466 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -123.3 110.62 15.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.244 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -119.0 119.38 34.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.06 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -124.34 122.73 38.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.001 0.429 . . . . 10.0 111.701 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.25 117.89 31.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.541 HG13 HG23 ' B' ' 18' ' ' VAL . 2.6 t -125.69 116.59 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.41 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -121.88 129.44 52.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.67 0.272 . . . . 10.0 111.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -112.55 121.12 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.442 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.1 108.02 10.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 10.0 110.061 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -112.31 120.22 40.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.019 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.9 OUTLIER -115.72 158.09 23.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.716 ' O ' ' HA ' ' D' ' 26' ' ' SER . 2.6 t -134.62 25.18 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.069 0.462 . . . . 10.0 109.939 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.567 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -70.86 83.45 0.39 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 116.131 -0.486 . . . . 10.0 113.479 -178.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.734 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 2.3 m -63.67 -16.09 60.08 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -137.84 112.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.684 -0.235 . . . . 10.0 111.397 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.714 ' O ' ' HA ' ' D' ' 28' ' ' LYS . 99.0 mttt 59.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.42 -19.34 70.6 Favored Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.62 -128.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 123.433 0.693 . . . . 10.0 112.489 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 3.1 mt -124.51 107.42 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.171 0.51 . . . . 10.0 111.704 -178.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.735 HG12 HG22 ' B' ' 32' ' ' ILE . 19.3 pt -118.45 137.79 51.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.076 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.3 126.88 4.71 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.346 -0.93 . . . . 10.0 113.199 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.551 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -121.74 116.35 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.724 ' HG3' ' HA3' ' K' ' 37' ' ' GLY . 14.6 mmt -114.27 121.65 44.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.945 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.2 111.07 33.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.454 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.47 114.83 3.25 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.202 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 111.56 1.71 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.25 119.55 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 10.0 110.545 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' B' ' 40' ' ' VAL . 64.4 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' E' ' 11' ' ' GLU . 26.8 mt-10 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.673 0.273 . . . . 10.0 110.764 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.07 107.07 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -110.69 119.78 40.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.8 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.59 111.48 17.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.212 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -122.55 121.43 36.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.496 ' HB2' ' HG3' ' E' ' 16' ' ' LYS . 43.5 mttp -129.38 124.38 34.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.155 0.502 . . . . 10.0 111.456 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -113.33 117.78 32.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.841 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 3.7 t -123.57 117.83 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.795 0.331 . . . . 10.0 110.51 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -123.82 126.46 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 10.0 111.555 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -108.07 117.82 35.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.414 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.78 110.57 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -119.36 120.46 36.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.445 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -116.37 159.37 22.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.4 ' CG2' ' HA ' ' E' ' 24' ' ' VAL . 2.7 t -134.45 10.03 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.184 0.516 . . . . 10.0 111.157 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.414 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -63.05 101.07 0.39 Allowed Glycine 0 C--O 1.219 -0.784 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.661 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.716 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 1.5 m -74.91 -5.79 45.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -143.47 112.27 6.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.924 -0.31 . . . . 10.0 111.75 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.714 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 97.7 mttt 62.02 101.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.16 76.63 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.495 -1.042 . . . . 10.0 110.495 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.87 -112.14 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.753 0.821 . . . . 10.0 113.193 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 52.9 mt -137.88 107.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 10.0 111.806 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.441 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.2 pt -115.2 143.13 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.946 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.23 110.51 0.78 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.364 -0.922 . . . . 10.0 113.261 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.08 117.43 34.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.591 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.8 mmt -116.24 111.16 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.052 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 t -107.84 119.46 57.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.686 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.22 106.13 0.84 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.883 -0.675 . . . . 10.0 112.263 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.42 115.71 3.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.945 -0.645 . . . . 10.0 111.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.56 120.3 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 10.0 110.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.205 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' HG2' ' D' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.871 0.367 . . . . 10.0 110.243 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.74 110.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.181 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -113.33 120.44 41.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.969 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -120.65 107.43 12.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.797 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.03 124.81 49.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.0 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . 0.496 ' HG3' ' HB2' ' D' ' 16' ' ' LYS . 67.8 tttt -138.06 126.51 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.853 0.358 . . . . 10.0 110.859 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' F' ' 17' ' ' LEU . 5.7 mp -123.67 122.47 38.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.05 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 9.1 t -126.62 122.08 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.372 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.458 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -118.5 133.53 55.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.52 110.8 20.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.25 99.03 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -110.66 118.87 37.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.595 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -116.43 162.04 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.721 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' CG2' ' D' ' 24' ' ' VAL . 2.4 t -132.49 39.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' F' ' 26' ' ' SER . . . -61.12 179.75 3.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.649 -0.705 . . . . 10.0 114.12 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -152.58 -38.27 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.545 -0.327 . . . . 10.0 110.248 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -138.2 116.84 12.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 10.0 111.768 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 77.3 mttt 61.07 99.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.55 74.26 Favored Glycine 0 C--N 1.33 0.202 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' HD2' ' F' ' 28' ' ' LYS . . . 77.38 -121.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.481 HD13 ' HB ' ' D' ' 31' ' ' ILE . 6.8 mm -122.94 111.83 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.732 0.301 . . . . 10.0 111.702 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.31 130.77 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.827 0.346 . . . . 10.0 110.343 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.0 128.28 5.98 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.57 -0.824 . . . . 10.0 112.98 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.8 115.43 23.84 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.46 112.13 21.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.045 0.45 . . . . 10.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.3 110.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.947 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.17 110.34 2.16 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.058 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 114.24 2.56 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.727 -0.749 . . . . 10.0 111.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.7 t -116.02 114.34 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.66 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' G' ' 12' ' ' VAL . 4.3 p -134.13 109.52 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.418 0.627 . . . . 10.0 110.734 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.428 ' NE2' ' HB2' ' F' ' 15' ' ' GLN . 64.5 t60 -117.8 125.99 51.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.221 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.28 107.05 11.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.876 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.428 ' HB2' ' NE2' ' F' ' 13' ' ' HIS . 45.8 tt0 -114.3 121.02 42.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.546 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' HG2' ' G' ' 16' ' ' LYS . 91.8 mttt -127.03 121.83 32.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' E' ' 17' ' ' LEU . 5.1 mp -121.68 118.56 29.44 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.544 HG13 HG13 ' G' ' 18' ' ' VAL . 6.6 p -132.17 123.51 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.305 0.574 . . . . 10.0 111.382 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.445 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 7.5 m-85 -119.54 130.02 54.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -107.61 117.01 32.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.268 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 103.98 8.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.77 -0.455 . . . . 10.0 109.77 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -120.05 122.47 41.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.349 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -121.32 167.18 13.04 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' G' ' 24' ' ' VAL . 2.3 t -129.99 15.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 10.0 110.223 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -59.87 120.42 22.68 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 121.201 -0.524 . . . . 10.0 111.872 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.445 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.1 m -97.75 -9.82 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.81 127.08 12.15 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.973 -0.455 . . . . 10.0 111.999 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.63 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 17.2 tptm 57.72 89.74 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 124.155 0.909 . . . . 10.0 112.963 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.18 -20.45 67.2 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.532 -0.842 . . . . 10.0 111.518 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.739 0.815 . . . . 10.0 113.038 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 21.2 mt -135.21 110.61 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 10.0 111.44 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -124.6 130.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.217 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 129.3 6.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.741 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.56 106.99 12.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.423 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -109.91 117.83 34.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.093 0.473 . . . . 10.0 111.606 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -115.33 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.764 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 111.34 1.95 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.003 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.19 114.31 2.56 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.674 -0.774 . . . . 10.0 111.991 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.58 127.55 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 6.5 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 111.278 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.451 ' HA ' HG13 ' F' ' 12' ' ' VAL . 3.4 t -107.91 110.18 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.58 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -121.87 114.78 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.774 0.321 . . . . 10.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.403 ' HD2' HG12 ' G' ' 12' ' ' VAL . 35.2 m-70 -118.78 113.53 21.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.114 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -124.45 120.41 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.553 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 49.5 mtmt -129.18 125.52 37.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 10.0 111.591 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.43 121.11 40.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.8 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.544 HG13 HG13 ' F' ' 18' ' ' VAL . 5.2 t -126.58 117.98 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.569 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.28 125.47 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.726 0.298 . . . . 10.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.88 115.33 29.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.676 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.74 113.37 18.5 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.52 116.19 15.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 10.0 111.645 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -125.11 137.77 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' F' ' 24' ' ' VAL . 2.6 t -93.25 61.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.014 0.435 . . . . 10.0 110.309 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -63.79 172.09 15.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.028 -0.606 . . . . 10.0 113.114 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -149.12 -51.29 0.15 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.291 0.567 . . . . 10.0 109.777 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -139.39 120.61 14.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 29.0 ttmt 66.47 99.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.994 0.809 . . . . 10.0 112.743 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.79 -14.77 79.76 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.16 -132.58 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.671 0.788 . . . . 10.0 112.655 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' H' ' 31' ' ' ILE . 41.4 mt -122.67 107.28 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.447 . . . . 10.0 111.473 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 54.2 mt -120.54 126.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.237 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.34 122.8 4.91 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.341 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -107.93 121.0 43.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.568 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 20.0 mmt -118.45 109.05 15.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.91 0.386 . . . . 10.0 111.047 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.458 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.6 t -107.48 110.58 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.139 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.444 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -116.44 111.0 2.25 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.3 118.26 3.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.087 -0.577 . . . . 10.0 111.721 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -122.72 118.95 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.715 0.293 . . . . 10.0 110.43 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 42.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.457 0.17 . . . . 10.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.42 96.38 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -102.15 130.28 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.827 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -129.7 99.76 5.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.794 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -119.56 123.61 44.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 4.5 ptmt -138.0 131.17 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.021 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -121.42 118.74 30.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.369 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 84.5 t -124.97 123.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 10.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -123.54 137.02 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -112.85 107.66 16.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.22 114.3 27.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -131.21 133.36 45.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.577 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -151.22 174.65 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.42 HG13 ' HB ' ' G' ' 24' ' ' VAL . 11.0 t -138.09 72.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -91.04 81.43 1.3 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.953 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -56.58 -48.96 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 10.0 110.994 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -126.07 107.41 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' G' ' 28' ' ' LYS . 32.1 ttpt 66.55 97.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.301 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 2.98 42.9 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.888 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.57 -164.97 0.19 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.121 0.568 . . . . 10.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 63.7 mt -95.39 113.58 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.064 0.459 . . . . 10.0 110.668 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 mt -118.15 132.94 66.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.762 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' P' ' 39' ' ' VAL . . . -132.15 111.65 1.07 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.564 -0.827 . . . . 10.0 112.493 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 73.7 mt -105.92 107.04 17.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.913 0.387 . . . . 10.0 110.056 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.568 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.1 mpt? -110.83 119.42 39.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.956 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.445 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 7.4 p -120.25 128.06 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.075 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -127.85 122.8 4.25 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.369 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.87 117.67 2.53 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.255 -0.738 . . . . 10.0 111.255 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.92 116.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.709 -0.662 . . . . 10.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.656 0.265 . . . . 10.0 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.473 HG12 ' HD2' ' I' ' 14' ' ' HIS . 23.1 t -104.6 112.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.482 ' HE1' HG11 ' J' ' 40' ' ' VAL . 49.7 t60 -114.71 116.02 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 10.0 111.287 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.473 ' HD2' HG12 ' I' ' 12' ' ' VAL . 60.0 m-70 -127.51 106.83 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -133.92 130.45 37.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.263 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -144.01 130.41 19.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.488 . . . . 10.0 111.783 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.43 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.3 mp -120.39 121.36 38.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.391 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -128.19 126.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.911 0.386 . . . . 10.0 111.104 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -115.09 124.42 51.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.645 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -103.63 95.44 6.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.71 0.29 . . . . 10.0 110.869 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.05 95.31 7.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.296 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.76 96.16 9.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.766 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.8 146.63 26.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.752 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.492 HG23 ' O ' ' J' ' 23' ' ' ASP . 3.4 t -127.11 36.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 10.0 109.535 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.639 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -74.04 91.66 0.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.972 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -147.56 130.29 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.385 0.612 . . . . 10.0 112.649 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 97.8 mttt 65.86 93.0 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.577 -1.192 . . . . 10.0 113.721 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.14 -27.83 63.39 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.102 -0.799 . . . . 10.0 111.102 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.78 -133.5 0.07 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.3 mm -98.74 140.8 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 10.0 111.68 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -151.91 139.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.977 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.46 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -135.26 113.87 1.17 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.822 -0.704 . . . . 10.0 112.224 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -117.82 99.54 6.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.586 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.0 mpt? -106.79 104.3 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.088 0.471 . . . . 10.0 111.819 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.419 ' HA ' HG13 ' J' ' 36' ' ' VAL . 32.6 t -103.87 99.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.509 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 113.88 4.81 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.679 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.73 95.8 0.69 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.723 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.58 HG21 ' HA3' ' A' ' 33' ' ' GLY . 21.3 t -105.0 96.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.499 . . . . 10.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.618 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' K' ' 11' ' ' GLU . 11.9 tt0 . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.61 109.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.162 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -110.1 118.69 37.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -124.64 111.48 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -124.86 122.26 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 10.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.521 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 91.7 mttt -121.73 125.25 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.7 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.43 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.5 mp -122.68 114.21 20.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.413 HG23 HG13 ' K' ' 18' ' ' VAL . 0.0 OUTLIER -127.58 116.55 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 10.0 111.304 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -117.22 123.03 45.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.725 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.36 123.25 47.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.786 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.25 107.86 9.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.968 0.414 . . . . 10.0 110.69 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -104.17 126.3 51.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.413 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -119.74 150.55 40.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.689 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.4 t -132.37 25.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.639 ' O ' ' HA2' ' I' ' 25' ' ' GLY . . . -69.82 83.21 0.3 Allowed Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 113.049 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -37.48 80.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.319 . . . . 10.0 111.634 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -125.45 114.04 18.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.976 0.361 . . . . 10.0 111.976 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.66 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 84.2 mttt 63.72 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.2 -16.6 79.44 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.52 -95.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.79 0.836 . . . . 10.0 112.809 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.1 tt -160.44 102.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.905 0.859 . . . . 10.0 112.295 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.624 HG22 HG12 ' K' ' 32' ' ' ILE . 41.0 pt -113.18 141.41 28.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.764 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -136.11 130.15 5.19 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 10.0 113.092 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.547 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.2 mp -128.01 116.45 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.586 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -121.86 120.22 33.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.011 0.434 . . . . 10.0 111.447 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.6 p -121.04 124.48 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.011 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.33 109.21 1.46 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.108 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.62 110.15 2.88 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.256 -0.738 . . . . 10.0 111.256 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -114.17 112.87 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.962 0.41 . . . . 10.0 110.024 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' K' ' 40' ' ' VAL . 58.3 t . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.447 ' HB3' ' HG3' ' J' ' 11' ' ' GLU . 46.5 tt0 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.15 109.54 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -113.53 118.58 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.767 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.55 110.84 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.318 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -122.88 126.17 46.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.68 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . 0.521 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 53.7 mtmt -128.72 127.74 42.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 10.0 111.695 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.84 110.6 16.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.493 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.413 HG13 HG23 ' J' ' 18' ' ' VAL . 2.6 t -121.05 117.61 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.661 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.53 129.36 52.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -111.86 114.73 27.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.373 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.73 113.05 17.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.743 0.306 . . . . 10.0 110.205 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -117.55 126.86 53.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.261 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.9 OUTLIER -120.02 156.36 31.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 179.32 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' L' ' 26' ' ' SER . 2.5 t -133.36 24.97 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . 0.564 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -70.87 85.88 0.37 Allowed Glycine 0 C--O 1.219 -0.786 0 CA-C-N 116.026 -0.533 . . . . 10.0 113.407 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 26' ' ' SER . . . . . 0.758 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 4.4 m -63.77 -15.02 57.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -138.97 112.99 8.58 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.699 -0.4 . . . . 10.0 111.47 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 90.1 mttt 57.82 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.16 64.4 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.16 -127.74 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.568 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 11.7 mt -122.35 104.59 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.393 . . . . 10.0 111.825 -177.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.624 HG12 HG22 ' J' ' 32' ' ' ILE . 14.1 pt -117.36 137.43 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -132.44 127.94 5.03 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.302 -0.951 . . . . 10.0 113.28 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.547 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 5.8 mp -123.57 118.14 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.58 123.52 45.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' J' ' 36' ' ' VAL . 3.8 t -118.34 115.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.786 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' C' ' 35' ' ' MET . . . -116.24 110.63 2.21 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.04 111.35 2.27 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.724 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.67 117.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.831 0.348 . . . . 10.0 110.536 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' J' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.126 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.038 0.447 . . . . 10.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.84 111.57 34.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.777 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -114.98 118.85 34.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 10.0 111.119 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -121.3 104.01 9.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.427 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.4 126.61 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.567 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . 0.481 ' HB2' ' HG2' ' M' ' 16' ' ' LYS . 5.9 mttt -131.98 126.84 34.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 10.0 111.644 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -115.61 114.05 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.229 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.4 t -120.73 117.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 10.0 110.298 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.41 128.5 49.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.852 0.358 . . . . 10.0 111.571 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -110.29 123.62 50.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.039 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.07 108.12 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.873 0.368 . . . . 10.0 110.144 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -114.07 119.92 38.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.467 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -113.55 154.75 26.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.701 -1.222 . . . . 10.0 107.701 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.85 11.08 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.126 0.488 . . . . 10.0 111.506 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -63.96 104.34 0.86 Allowed Glycine 0 C--O 1.216 -1.004 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.214 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 2.4 m -80.08 -0.15 34.48 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -148.27 111.89 5.04 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.2 -0.313 . . . . 10.0 111.515 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.1 mttt 61.41 97.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 114.111 1.152 . . . . 10.0 114.111 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.22 73.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.87 -114.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.568 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 33.7 mt -135.57 112.97 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.522 . . . . 10.0 111.976 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 pt -121.59 142.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.43 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.55 119.22 2.14 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.799 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' HB2' ' M' ' 34' ' ' LEU . 7.9 mp -117.75 112.77 20.88 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.28 112.55 22.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.154 0.502 . . . . 10.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.26 116.19 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.351 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -120.11 107.38 1.31 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.768 -0.729 . . . . 10.0 112.332 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.08 119.31 4.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -120.34 124.92 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 11.1 p . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.286 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 10.0 111.38 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.45 104.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . 0.428 ' HE1' HG21 ' N' ' 40' ' ' VAL . 21.6 t60 -110.81 123.74 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 111.543 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -124.61 110.34 14.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.076 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -122.36 117.51 26.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . 0.481 ' HG2' ' HB2' ' L' ' 16' ' ' LYS . 48.3 mtpt -128.18 122.11 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 10.0 111.086 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.0 117.25 27.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 8.6 t -124.71 122.93 64.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.981 0.419 . . . . 10.0 111.183 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . 0.447 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 8.1 m-85 -116.86 131.79 56.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.226 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.18 104.89 12.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.169 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.9 105.67 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.99 121.92 42.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.154 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -118.64 159.65 23.23 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.2 37.08 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.09 0.471 . . . . 10.0 109.85 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -58.9 174.23 3.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.606 -0.724 . . . . 10.0 113.94 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -145.16 -40.71 0.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.791 0.329 . . . . 10.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.11 122.71 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.1 tppp? 61.41 96.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -21.29 73.46 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 78.29 -120.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.4 mt -131.77 113.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 10.0 111.733 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.403 HG22 HG13 ' N' ' 32' ' ' ILE . 20.0 pt -123.01 141.62 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.085 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.9 127.47 4.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.454 -0.879 . . . . 10.0 113.095 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.406 ' HB2' ' HG ' ' L' ' 34' ' ' LEU . 6.4 mp -122.34 113.18 19.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.84 113.23 23.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.069 0.461 . . . . 10.0 111.334 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.46 112.66 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.09 109.54 2.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.774 -0.726 . . . . 10.0 112.194 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.98 114.35 2.79 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 23.1 t -116.77 117.62 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' N' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.988 0.423 . . . . 10.0 112.06 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.34 118.74 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.699 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -120.05 123.58 43.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.654 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.56 105.81 10.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.64 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -114.74 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.336 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.26 122.12 28.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.309 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.57 119.65 34.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.921 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.78 121.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.545 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.65 126.22 48.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.87 122.59 46.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.581 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.97 102.93 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -118.43 120.92 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.994 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -119.83 166.71 12.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.504 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 t -128.91 10.07 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.295 0.569 . . . . 10.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 124.87 37.08 Favored Glycine 0 C--O 1.22 -0.781 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.937 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 26' ' ' SER . . . . . 0.564 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 0.8 OUTLIER -103.97 -12.79 16.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.148 0.499 . . . . 10.0 111.995 -178.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -143.05 125.03 15.2 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.727 -0.608 . . . . 10.0 111.527 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.599 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 0.1 OUTLIER 57.85 93.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.957 0.786 . . . . 10.0 112.872 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.61 66.73 Favored Glycine 0 C--N 1.331 0.251 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.75 -117.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.826 0.85 . . . . 10.0 113.119 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 33.9 mt -136.35 109.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.989 0.423 . . . . 10.0 111.36 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.774 HG22 ' HB ' ' O' ' 32' ' ' ILE . 1.2 pt -126.8 131.34 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.87 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.97 131.63 7.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.019 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.59 105.82 12.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -108.76 117.52 34.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.063 0.459 . . . . 10.0 111.412 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.41 118.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.662 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.423 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -121.92 111.06 1.74 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.55 114.97 2.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.98 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 t -118.06 121.63 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' N' ' 11' ' ' GLU . 17.2 tt0 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.868 0.366 . . . . 10.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.37 116.73 47.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.705 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . 0.57 ' HE1' HG21 ' P' ' 40' ' ' VAL . 24.6 t60 -119.49 118.79 32.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.492 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . 0.688 ' HB2' ' HD2' ' P' ' 14' ' ' HIS . 90.7 m-70 -120.54 113.61 20.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.484 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . 0.423 ' HG3' ' HB3' ' P' ' 15' ' ' GLN . 14.2 tt0 -121.19 119.19 31.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.14 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.01 118.56 24.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 111.723 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -116.28 119.61 36.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.886 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.1 t -127.86 125.27 64.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.848 0.356 . . . . 10.0 110.861 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -123.37 128.72 50.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.7 110.03 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.57 111.79 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 10.0 110.068 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' P' ' 22' ' ' GLU . 27.2 tt0 -130.89 127.06 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.842 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.2 137.42 40.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.846 0.355 . . . . 10.0 110.076 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -90.34 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.151 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -66.17 171.6 27.68 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.982 -0.627 . . . . 10.0 112.566 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -152.51 -48.2 0.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.098 0.475 . . . . 10.0 110.136 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.63 118.37 11.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.242 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.599 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 96.1 mttt 67.18 100.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.388 0.884 . . . . 10.0 113.388 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.54 -9.05 81.85 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.86 -141.79 0.06 Allowed 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 123.551 0.74 . . . . 10.0 112.393 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' P' ' 31' ' ' ILE . 29.6 mt -116.61 108.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.024 0.44 . . . . 10.0 111.358 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . 0.774 ' HB ' HG22 ' N' ' 32' ' ' ILE . 63.6 mt -122.1 129.41 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.871 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.62 121.04 4.22 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.716 -0.754 . . . . 10.0 112.607 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.45 119.13 38.26 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 19.7 mmt -117.38 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.726 0.298 . . . . 10.0 110.774 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 6.7 t -107.69 107.4 22.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . 0.532 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -114.21 111.81 2.68 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.29 118.83 3.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.197 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.53 123.67 67.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.2 p . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.049 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.9 119.64 41.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.696 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -115.16 127.88 55.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.643 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . 0.688 ' HD2' ' HB2' ' O' ' 14' ' ' HIS . 24.4 m170 -121.68 104.21 9.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.764 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . 0.423 ' HB3' ' HG3' ' O' ' 15' ' ' GLN . 48.2 tt0 -111.51 114.88 28.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.104 0.478 . . . . 10.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -116.48 130.91 57.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.984 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' P' ' 17' ' ' LEU . 7.5 tp -138.89 108.94 6.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.263 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 12.3 p -127.02 134.29 66.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.774 0.321 . . . . 10.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -130.05 144.69 51.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -120.96 111.74 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.99 118.17 27.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.469 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' O' ' 22' ' ' GLU . 0.1 OUTLIER -141.89 142.39 33.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.208 179.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -149.88 176.44 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 t -129.05 70.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . 0.436 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -91.39 75.5 1.52 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.166 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -57.3 -47.42 81.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -123.14 108.61 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.317 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt 67.3 96.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.741 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.36 -1.27 50.51 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.436 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.33 -174.28 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.611 0.764 . . . . 10.0 112.4 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 63.1 mt -87.61 113.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.205 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -120.41 131.85 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.29 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.26 121.46 3.53 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -117.49 104.56 11.2 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HB2' ' O' ' 35' ' ' MET . 1.9 mpt? -104.79 119.09 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.153 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -109.11 125.36 66.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.624 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.41 112.24 1.75 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.681 -0.771 . . . . 10.0 111.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.15 115.3 2.15 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.256 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.443 HG21 ' HA3' ' H' ' 33' ' ' GLY . 26.6 t -126.86 133.96 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . 0.57 HG21 ' HE1' ' O' ' 13' ' ' HIS . 14.9 p . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.107 -0.949 . . . . 10.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 23.1 t . . . . . 0 C--O 1.231 0.091 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -121.34 105.8 10.87 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -114.87 96.08 5.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.091 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -118.95 116.02 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -131.52 127.77 37.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.948 0.404 . . . . 10.0 111.667 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.64 118.91 29.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.672 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -128.25 120.04 52.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.351 . . . . 10.0 110.947 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -114.56 124.3 51.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.55 99.86 11.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.889 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.7 97.76 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.97 0.415 . . . . 10.0 110.955 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.776 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 8.2 tp10 -81.21 147.53 29.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.502 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.1 OUTLIER -143.19 128.36 18.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.31 . . . . 10.0 111.553 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 23' ' ' ASP . 4.1 t -127.24 25.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.614 0.721 . . . . 10.0 109.361 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -71.35 104.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.546 -0.752 . . . . 10.0 112.741 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.91 -30.79 45.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -141.77 119.62 11.9 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 63.1 mttp 61.23 101.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 114.841 1.422 . . . . 10.0 114.841 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -25.68 66.23 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.353 -1.099 . . . . 10.0 110.353 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.01 -130.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.01 129.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.228 0.537 . . . . 10.0 112.19 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -136.68 134.18 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.011 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.559 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -128.78 105.73 0.72 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.945 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.99 97.94 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.534 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.5 mpt? -105.79 113.55 27.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.055 0.455 . . . . 10.0 112.052 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 132.87 59.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.919 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.62 0.25 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.047 -0.597 . . . . 10.0 111.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.46 85.92 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.579 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 ' HA3' ' I' ' 33' ' ' GLY . 7.2 t -90.28 101.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.907 -179.712 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.64 0.257 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.419 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 33.8 t -111.56 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.085 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -115.19 116.24 28.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.819 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -122.14 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.874 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -127.77 116.85 20.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.035 0.445 . . . . 10.0 110.413 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -124.86 118.61 26.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.878 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.85 118.78 37.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.593 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.6 t -127.26 118.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.58 132.55 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.995 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -111.25 114.25 27.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.88 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.6 104.06 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.141 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.776 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 4.2 tt0 -99.75 117.66 34.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.53 144.24 38.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.433 0.458 . . . . 10.0 110.522 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.668 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.1 t -131.16 24.42 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.501 0.667 . . . . 10.0 109.362 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.691 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -69.52 77.04 0.37 Allowed Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.631 -0.713 . . . . 10.0 113.271 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -59.92 -38.86 83.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.04 103.48 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.923 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 95.2 mttt 63.91 105.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.819 1.414 . . . . 10.0 114.819 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -19.6 79.76 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 110.711 -0.956 . . . . 10.0 110.711 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -102.09 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.683 0.793 . . . . 10.0 112.826 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 81.4 mt -139.98 104.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.105 0.478 . . . . 10.0 111.236 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.732 HG22 HG12 ' C' ' 32' ' ' ILE . 44.8 pt -116.79 131.34 69.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.222 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.73 134.42 7.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.218 -0.991 . . . . 10.0 113.498 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.8 mp -131.19 122.54 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.534 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.5 mpt? -120.75 118.55 30.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.226 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.57 103.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.068 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.89 114.23 4.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 114.04 1.96 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.832 -0.699 . . . . 10.0 111.803 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 t -113.68 107.79 23.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.732 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.634 ' HG3' ' HB3' ' D' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.45 110.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.635 -0.257 . . . . 10.0 110.757 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -113.94 120.71 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.629 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.81 105.44 8.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.595 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' D' ' 15' ' ' GLN . 19.3 tt0 -118.34 125.55 50.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.958 0.408 . . . . 10.0 110.775 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.54 ' HB2' ' HG3' ' D' ' 16' ' ' LYS . 45.7 mtpt -127.47 123.57 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.941 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.31 110.97 17.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.806 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 5.8 t -123.52 118.15 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.493 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -121.16 128.06 52.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.232 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -107.59 122.05 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.321 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 104.97 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.42 118.45 36.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -109.28 155.09 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.338 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.3 t -134.7 26.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 10.0 109.789 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.691 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.06 75.11 0.34 Allowed Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.691 -0.686 . . . . 10.0 113.99 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.668 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 13.9 m -58.1 -23.53 55.15 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -129.69 99.69 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.661 -0.245 . . . . 10.0 111.22 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.0 mttt 65.64 107.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 114.887 1.439 . . . . 10.0 114.887 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.31 -21.08 79.4 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 110.13 -1.188 . . . . 10.0 110.13 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.26 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 25.6 mt -133.91 105.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.057 0.456 . . . . 10.0 111.414 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.732 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -117.21 139.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.368 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.55 3.06 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.433 -0.889 . . . . 10.0 112.84 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.2 mp -118.46 110.58 17.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.87 120.6 42.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.306 0.574 . . . . 10.0 111.701 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -112.19 124.44 68.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.266 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.71 105.96 0.77 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.004 -0.617 . . . . 10.0 112.114 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.11 115.19 3.18 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.783 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.69 117.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.591 179.784 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . 0.634 ' HB3' ' HG3' ' C' ' 11' ' ' GLU . 7.8 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.934 0.397 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.442 HG12 ' HD2' ' D' ' 14' ' ' HIS . 4.6 t -114.42 114.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.311 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . 0.428 ' CE1' HG21 ' E' ' 40' ' ' VAL . 76.4 t60 -114.65 119.5 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.226 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . 0.442 ' HD2' HG12 ' D' ' 12' ' ' VAL . 14.4 m-70 -121.05 110.96 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.384 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 19.7 tt0 -122.6 120.22 33.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.242 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' C' ' 16' ' ' LYS . 1.5 mptt -126.17 122.6 36.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 10.0 111.627 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.38 114.92 25.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.47 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 2.8 t -127.56 119.72 52.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.898 0.38 . . . . 10.0 110.782 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.89 133.04 54.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -115.66 112.83 22.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.64 108.13 13.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.821 0.343 . . . . 10.0 110.189 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.51 124.28 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.126 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.4 OUTLIER -116.36 162.32 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.696 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.0 t -140.73 29.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.658 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -73.1 77.92 0.82 Allowed Glycine 0 C--O 1.218 -0.848 0 CA-C-N 115.913 -0.585 . . . . 10.0 113.887 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.3 OUTLIER -54.56 -25.0 23.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -134.62 111.55 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 96.4 mttt 62.44 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.6 77.69 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -128.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.552 0.741 . . . . 10.0 112.899 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.658 ' HB ' HD13 ' E' ' 31' ' ' ILE . 65.7 mt -121.27 117.46 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.448 0.642 . . . . 10.0 112.167 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.461 HG22 HG12 ' E' ' 32' ' ' ILE . 16.4 pt -124.64 140.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.97 120.53 2.81 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.985 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.94 115.32 28.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.528 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 17.5 mmt -116.16 109.23 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 10.0 110.995 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.32 109.75 29.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.942 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.92 115.15 3.19 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.366 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.66 118.26 3.15 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.958 -0.639 . . . . 10.0 111.688 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 t -115.71 119.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.68 0.276 . . . . 10.0 110.337 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.383 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.146 0.498 . . . . 10.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . 0.402 HG12 ' HD2' ' E' ' 14' ' ' HIS . 14.0 t -114.01 117.92 56.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.474 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -113.57 122.35 46.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.714 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . 0.402 ' HD2' HG12 ' E' ' 12' ' ' VAL . 5.0 m-70 -123.07 105.63 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.947 0.403 . . . . 10.0 110.591 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -115.9 120.14 38.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . 0.626 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 91.0 mttt -127.88 124.32 37.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.03 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.85 113.99 19.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.256 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 19.3 t -123.55 126.02 72.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.665 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.528 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.96 115.43 29.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.63 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.68 102.31 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.994 0.426 . . . . 10.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -111.69 117.81 33.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.42 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -111.74 166.81 10.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.948 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -132.51 2.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.483 . . . . 10.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' F' ' 25' ' ' GLY . . . -54.42 109.61 1.27 Allowed Glycine 0 C--O 1.215 -1.042 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.001 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.548 ' HA ' ' HA2' ' D' ' 25' ' ' GLY . 1.2 m -96.71 -10.64 26.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -139.38 110.17 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 10.0 111.832 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 32.9 tttt 61.24 94.07 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -21.37 72.32 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.92 -0.872 . . . . 10.0 110.92 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.73 -104.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.869 1.062 . . . . 10.0 113.869 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.658 HD13 ' HB ' ' D' ' 31' ' ' ILE . 9.9 mm -137.27 117.04 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.333 . . . . 10.0 111.569 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.461 HG12 HG22 ' D' ' 32' ' ' ILE . 5.4 pt -127.6 139.37 52.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.15 123.88 3.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.29 -0.957 . . . . 10.0 113.519 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 80.8 mt -116.46 112.77 21.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.437 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -116.71 111.5 19.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.061 0.458 . . . . 10.0 111.872 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.17 118.32 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.552 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 106.36 1.04 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.193 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.94 117.6 3.98 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.761 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.48 122.15 67.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.896 0.379 . . . . 10.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.78 128.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 10.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -122.57 123.44 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -119.95 107.01 12.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.466 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -119.47 112.56 19.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.0 0.429 . . . . 10.0 109.982 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.626 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 48.0 mtmt -125.51 114.1 18.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 10.0 111.782 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.41 129.74 55.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.711 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.543 HG13 HG13 ' G' ' 18' ' ' VAL . 9.6 p -140.22 123.09 16.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.294 0.569 . . . . 10.0 111.351 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -116.9 135.95 53.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.483 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -114.71 110.47 19.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.89 117.99 30.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -131.7 122.71 26.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.017 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.29 173.24 7.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' G' ' 25' ' ' GLY . 2.6 t -137.41 10.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.754 0.312 . . . . 10.0 110.414 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -61.51 89.73 0.05 OUTLIER Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.439 -0.41 . . . . 10.0 112.793 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.421 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.0 OUTLIER -68.42 -15.24 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -137.46 122.01 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 20.2 tptm 62.43 89.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.22 71.21 Favored Glycine 0 N--CA 1.459 0.228 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.548 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.29 -119.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 123.585 0.754 . . . . 10.0 112.786 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 56.7 mt -134.2 107.31 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 10.0 111.752 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.566 HG22 HG12 ' G' ' 32' ' ' ILE . 47.1 pt -121.35 138.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.495 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 134.7 7.22 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.828 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -124.09 110.84 15.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 1.9 mpt? -110.04 116.31 31.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.138 0.494 . . . . 10.0 110.976 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -112.13 113.6 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.773 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.5 3.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.029 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.3 110.95 1.41 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.85 -0.69 . . . . 10.0 112.22 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -114.37 121.44 66.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.687 0.28 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -110.45 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -113.58 120.37 40.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -125.81 109.36 12.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.467 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -122.55 122.41 38.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.628 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 44.2 mtmt -128.13 123.74 35.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.097 0.475 . . . . 10.0 111.646 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.71 119.83 36.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.996 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.543 HG13 HG13 ' F' ' 18' ' ' VAL . 9.4 t -127.3 123.66 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.525 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.0 131.06 53.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.01 115.03 28.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.407 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.67 104.75 8.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -129.07 122.9 30.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.23 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -131.39 154.72 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.33 66.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.707 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' H' ' 26' ' ' SER . . . -69.21 174.64 33.74 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.081 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.7 -47.34 0.08 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -137.39 114.88 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.222 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 82.7 mttt 69.6 106.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.941 0.775 . . . . 10.0 113.075 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.38 -8.57 86.1 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.419 -1.073 . . . . 10.0 110.419 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 71.13 -142.52 0.06 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.478 0.711 . . . . 10.0 111.926 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.839 ' HB ' HG12 ' H' ' 31' ' ' ILE . 70.0 mt -122.07 103.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 10.0 111.52 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.593 HG22 HG12 ' H' ' 32' ' ' ILE . 41.1 pt -118.46 136.22 56.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.504 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.18 129.79 6.42 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.402 -0.904 . . . . 10.0 112.934 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.466 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 7.1 mp -106.26 124.42 49.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.509 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 21.5 mmt -120.54 109.43 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.528 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 15.2 t -108.96 108.88 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.726 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -113.05 104.88 1.6 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.711 -0.756 . . . . 10.0 112.693 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.42 121.58 5.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.951 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.31 123.43 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 92.0 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.527 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.72 116.95 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.696 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -111.89 106.91 15.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -111.54 116.44 30.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -138.79 130.02 26.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.908 0.385 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 9.5 ptmt -137.32 139.58 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.877 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 118.36 23.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.817 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 59.2 t -128.32 123.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.631 -0.259 . . . . 10.0 110.324 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.18 141.49 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 10.0 110.94 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.79 118.41 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.089 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.15 103.21 8.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.602 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.04 137.89 54.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.584 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.23 -172.84 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.179 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.13 54.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.163 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.94 76.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.45 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' SER . . . . . 0.435 ' HA ' ' HA2' ' G' ' 25' ' ' GLY . 16.3 m -62.79 -31.89 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -123.18 104.12 8.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.658 0.266 . . . . 10.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.614 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 37.3 ttpt 64.18 98.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.43 -0.804 . . . . 10.0 112.129 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.36 4.42 41.71 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.72 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.39 -172.59 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.149 0.579 . . . . 10.0 112.441 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.839 HG12 ' HB ' ' G' ' 31' ' ' ILE . 74.2 mt -105.89 105.01 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . 0.593 HG12 HG22 ' G' ' 32' ' ' ILE . 46.7 pt -126.79 158.3 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.115 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.36 110.41 0.8 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.447 -0.882 . . . . 10.0 113.257 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.21 99.92 12.3 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 9.8 ptp -114.95 131.31 56.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.205 0.526 . . . . 10.0 112.153 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.92 140.6 47.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.88 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.63 132.98 6.41 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 10.0 112.2 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.86 116.22 1.11 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.397 -0.681 . . . . 10.0 111.397 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.92 122.65 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 2.3 m . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.297 -0.858 . . . . 10.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -94.17 113.06 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.594 ' HE1' HG11 ' J' ' 40' ' ' VAL . 36.6 t60 -114.72 103.67 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.165 0.507 . . . . 10.0 112.044 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.89 97.57 6.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.464 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -131.39 120.02 22.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.927 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HE2' ' J' ' 16' ' ' LYS . 16.8 ptpt -141.43 137.64 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 10.0 111.558 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.21 126.04 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -123.57 115.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.35 111.03 20.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -87.59 110.61 20.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.788 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.04 99.63 8.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.833 0.349 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.835 ' HB3' ' HA ' ' J' ' 22' ' ' GLU . 9.3 tp10 -87.0 143.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -147.8 134.4 19.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.749 0.309 . . . . 10.0 111.22 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.783 ' CG2' ' HA ' ' J' ' 24' ' ' VAL . 18.1 m -134.42 32.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.515 0.674 . . . . 10.0 110.147 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' J' ' 26' ' ' SER . . . -72.43 108.42 2.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.225 -0.898 . . . . 10.0 112.075 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -67.96 -39.49 83.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.577 0.227 . . . . 10.0 110.969 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -151.52 138.37 18.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 74.3 mttt 63.34 86.08 0.12 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-N 114.197 -1.365 . . . . 10.0 113.86 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.61 -26.2 73.55 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.42 -149.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.4 mt -84.58 138.31 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -144.66 136.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.439 -0.801 . . . . 10.0 109.872 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -128.5 111.68 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.51 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -114.47 100.3 8.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.651 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.2 mpt? -106.82 118.29 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 10.0 111.623 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 t -114.12 119.62 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.784 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.64 84.59 0.35 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.808 -0.71 . . . . 10.0 111.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.96 73.85 0.71 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.217 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.559 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.6 t -75.87 96.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.501 . . . . 10.0 110.406 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' J' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.73 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.93 113.68 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.438 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.466 ' CE1' HG11 ' K' ' 40' ' ' VAL . 52.0 t60 -113.17 116.85 30.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.688 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.82 109.1 13.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -128.6 121.24 28.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.96 0.41 . . . . 10.0 110.928 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.51 ' HE2' ' HD2' ' I' ' 16' ' ' LYS . 95.4 mttt -125.53 123.64 39.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.47 109.98 18.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 t -121.51 117.09 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.933 0.397 . . . . 10.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -118.46 132.63 56.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.33 117.75 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.899 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.61 105.44 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.842 0.354 . . . . 10.0 110.294 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' I' ' 22' ' ' GLU . 13.3 tt0 -102.49 117.76 35.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.612 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.541 ' OD1' ' HA ' ' I' ' 23' ' ' ASP . 0.0 OUTLIER -107.69 144.27 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.581 0.551 . . . . 10.0 110.989 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.783 ' HA ' ' CG2' ' I' ' 24' ' ' VAL . 17.5 t -125.85 18.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 10.0 110.186 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.623 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 80.31 0.11 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.774 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.534 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 1.7 m -68.25 -22.25 64.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -140.98 114.66 8.92 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.347 -0.221 . . . . 10.0 111.079 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 23.4 mmtp 63.64 95.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.97 -18.19 77.54 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.671 -0.972 . . . . 10.0 110.671 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.74 -86.6 0.03 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.863 0.865 . . . . 10.0 112.947 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.3 tt -165.6 104.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.898 0.856 . . . . 10.0 112.198 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.66 HG22 HG12 ' K' ' 32' ' ' ILE . 46.8 pt -113.38 138.68 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.469 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.04 130.8 5.88 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.383 -0.913 . . . . 10.0 113.212 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 5.8 mp -129.04 118.88 23.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.651 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.2 mpt? -123.71 115.54 21.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.964 0.411 . . . . 10.0 111.2 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 p -113.78 114.58 47.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.29 0.567 . . . . 10.0 110.803 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 122.73 5.65 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.71 106.66 0.81 Allowed Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.439 -0.664 . . . . 10.0 111.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -101.92 104.29 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.594 HG11 ' HE1' ' I' ' 13' ' ' HIS . 59.1 t . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.748 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' L' ' 11' ' ' GLU . 11.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.75 0.309 . . . . 10.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.07 113.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.026 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -111.73 115.46 29.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -121.04 102.13 8.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.545 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -117.52 123.84 47.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.927 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -127.15 126.54 43.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.198 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -120.32 111.73 18.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.577 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.15 116.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 10.0 110.624 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -120.76 129.84 53.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.076 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -109.05 117.98 35.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.33 103.79 7.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.021 0.438 . . . . 10.0 110.066 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.84 120.12 40.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.997 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.73 154.94 24.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' L' ' 26' ' ' SER . 4.3 t -134.59 25.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.702 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . 0.652 ' HA2' ' O ' ' L' ' 25' ' ' GLY . . . -69.99 75.74 0.46 Allowed Glycine 0 C--O 1.223 -0.571 0 CA-C-N 115.91 -0.586 . . . . 10.0 113.46 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 26' ' ' SER . . . . . 0.701 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 10.0 m -56.18 -32.06 64.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -126.49 107.73 10.52 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.484 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 89.6 mttt 64.49 100.27 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.73 -23.12 78.43 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -119.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 12.9 mt -128.14 104.73 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.66 HG12 HG22 ' J' ' 32' ' ' ILE . 11.9 pt -116.18 140.15 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 121.019 -0.272 . . . . 10.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.38 122.48 3.12 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.343 -0.932 . . . . 10.0 113.022 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.453 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.2 mp -119.25 111.48 18.27 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.86 123.21 48.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.268 0.556 . . . . 10.0 111.601 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 5.9 t -114.55 123.85 70.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.328 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.04 105.77 0.82 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.006 -0.616 . . . . 10.0 112.211 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.37 113.92 2.93 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.949 -0.643 . . . . 10.0 111.66 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 t -112.78 117.56 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 10.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.466 HG11 ' CE1' ' J' ' 13' ' ' HIS . 24.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' K' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.708 0.29 . . . . 10.0 110.987 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.53 107.19 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -110.18 117.52 33.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.935 0.397 . . . . 10.0 111.502 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . 0.454 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 7.9 m-70 -120.98 106.63 11.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.039 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -120.34 120.47 36.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.364 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -126.48 122.61 35.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 10.0 111.183 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.56 114.35 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.363 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 3.1 t -126.02 119.39 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.876 0.369 . . . . 10.0 110.942 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -121.9 130.89 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.709 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.95 112.03 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.757 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.58 111.75 18.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 10.0 110.066 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.0 121.9 44.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.043 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' L' ' 25' ' ' GLY . 0.6 OUTLIER -114.91 161.96 17.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.857 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.1 t -139.75 30.37 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . 0.652 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -73.65 79.41 0.83 Allowed Glycine 0 C--O 1.22 -0.747 0 CA-C-N 115.959 -0.564 . . . . 10.0 113.974 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 26' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.7 OUTLIER -53.11 -31.25 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -132.84 116.55 16.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 83.5 mttt 62.27 96.75 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -24.72 76.69 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.52 -122.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.555 0.946 . . . . 10.0 113.555 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 38.5 mt -126.75 115.09 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.369 0.604 . . . . 10.0 112.228 -177.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.492 HG22 HG12 ' M' ' 32' ' ' ILE . 22.5 pt -123.17 138.58 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.995 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.12 123.7 4.51 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.83 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.0 115.63 24.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.19 108.63 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.17 0.509 . . . . 10.0 111.325 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 t -106.74 108.31 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.821 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.528 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.09 113.81 3.15 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.585 -0.817 . . . . 10.0 112.368 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.15 120.44 4.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.046 -0.597 . . . . 10.0 111.743 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -119.42 124.65 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.069 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.083 0.468 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -111.88 113.83 45.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.478 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -111.48 118.93 37.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.589 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -119.49 104.37 10.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.78 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -113.43 118.88 35.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . 0.435 ' HD2' ' HE2' ' N' ' 16' ' ' LYS . 88.1 mttt -128.95 117.46 21.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.549 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.89 118.42 31.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.327 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 41.2 t -127.03 124.15 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.637 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . 0.433 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 7.6 m-85 -119.79 130.46 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.992 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -108.24 116.66 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.149 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.6 100.12 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 10.0 110.127 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.09 119.38 39.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.736 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.73 164.65 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.852 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' N' ' 24' ' ' VAL . 3.5 t -131.7 5.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.029 0.442 . . . . 10.0 110.333 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -53.63 106.82 0.5 Allowed Glycine 0 C--O 1.213 -1.164 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.504 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 26' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 0.9 OUTLIER -87.58 -22.1 24.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.82 120.3 17.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' N' ' 28' ' ' LYS . 0.5 OUTLIER 61.82 90.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.188 -0.915 . . . . 10.0 113.204 178.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.6 -24.06 72.4 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 111.142 -0.783 . . . . 10.0 111.142 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.793 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 76.62 -115.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 3.7 mp -133.56 119.06 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 10.0 112.003 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.492 HG12 HG22 ' L' ' 32' ' ' ILE . 7.4 pt -127.01 144.0 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.883 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.14 125.02 3.73 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -117.59 108.56 15.62 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.36 113.88 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.442 . . . . 10.0 111.923 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 t -111.0 118.99 58.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.0 106.97 1.12 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.72 -0.752 . . . . 10.0 112.276 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.2 116.09 3.62 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.91 -0.662 . . . . 10.0 111.735 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.65 119.32 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.194 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.578 0.227 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.81 124.82 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.304 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' O' ' 40' ' ' VAL . 60.3 t60 -124.88 120.25 31.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.62 109.77 16.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -120.75 113.63 20.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . 0.435 ' HE2' ' HD2' ' M' ' 16' ' ' LYS . 39.6 mttt -127.09 120.75 29.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 10.0 111.991 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.25 125.29 50.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.747 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -131.01 122.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.438 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . 0.449 ' HZ ' HG21 ' P' ' 36' ' ' VAL . 8.7 m-85 -119.85 130.02 54.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.1 112.57 24.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.099 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.46 110.91 16.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -127.64 123.64 36.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.416 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.45 172.62 7.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.3 t -136.89 10.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 10.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . 0.433 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -61.01 90.59 0.05 OUTLIER Glycine 0 C--O 1.22 -0.75 0 C-N-CA 121.31 -0.472 . . . . 10.0 112.839 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 26' ' ' SER . . . . . 0.476 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 1.0 OUTLIER -71.51 -4.16 25.18 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -146.63 118.45 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.991 -0.443 . . . . 10.0 111.981 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.793 ' HD2' ' HB2' ' M' ' 30' ' ' ALA . 7.6 tptp 62.8 91.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.32 -19.79 72.76 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.621 -0.8 . . . . 10.0 111.388 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.23 -113.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' O' ' 31' ' ' ILE . 52.2 mt -140.19 107.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 10.0 111.485 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -123.55 136.52 59.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.703 0.287 . . . . 10.0 110.6 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 135.85 8.3 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 10.0 112.775 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.2 mp -124.05 110.71 15.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -109.97 115.68 30.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 10.0 110.958 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -111.45 113.63 44.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.985 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.61 114.77 3.44 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.013 -0.613 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.41 110.01 1.35 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.193 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.54 123.26 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.014 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.797 0.332 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.41 101.75 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -104.42 122.55 45.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.297 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -128.33 111.27 13.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.054 0.454 . . . . 10.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -121.43 119.04 30.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.373 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -124.48 118.77 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.524 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.92 119.54 35.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.132 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 13.9 t -129.41 125.22 61.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -123.54 132.17 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.954 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -111.15 114.72 28.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.488 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.17 105.97 9.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -130.66 125.75 34.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.342 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -136.22 138.57 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' P' ' 24' ' ' VAL . 0.0 OUTLIER -92.97 63.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.925 0.393 . . . . 10.0 111.499 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' N' ' 24' ' ' VAL . . . -65.1 174.38 16.3 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.032 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -150.65 -44.62 0.12 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.239 0.542 . . . . 10.0 109.959 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.097 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 81.6 mttt 68.7 101.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.141 0.793 . . . . 10.0 113.141 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.77 -9.83 86.36 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 70.77 -140.89 0.06 Allowed 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 123.317 0.647 . . . . 10.0 112.096 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.705 HG12 ' HB ' ' N' ' 31' ' ' ILE . 79.0 mt -120.58 107.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.484 0.659 . . . . 10.0 111.863 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . 0.653 HG23 HG23 ' P' ' 32' ' ' ILE . 22.4 mt -116.39 133.31 63.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.252 -0.886 . . . . 10.0 109.629 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.43 119.49 3.08 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.494 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.486 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -101.92 122.27 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.47 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.6 mmt -119.59 107.42 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.669 0.271 . . . . 10.0 110.701 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.433 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 12.1 t -106.91 108.4 25.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . 0.509 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -110.5 102.26 1.49 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.508 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.66 117.29 3.91 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.087 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 12.7 t -122.15 121.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.4 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.593 0.235 . . . . 10.0 111.216 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.348 -0.242 . . . . 10.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.1 138.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.089 0.471 . . . . 10.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -127.49 104.01 7.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.66 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -107.73 98.49 8.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.52 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -111.3 130.56 55.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.826 0.346 . . . . 10.0 110.557 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -129.86 127.93 41.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.922 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 tp -132.84 121.43 22.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.125 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . 0.547 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.9 p -141.85 136.87 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.063 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -136.34 141.71 43.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.778 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -116.07 120.94 40.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.79 110.32 10.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.987 0.422 . . . . 10.0 111.147 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -126.92 148.77 50.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.68 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.7 -174.31 4.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . 0.571 ' HA ' HG23 ' O' ' 24' ' ' VAL . 3.1 m -139.47 47.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.942 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . 0.426 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -78.96 70.88 2.68 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.784 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -39.35 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 10.0 110.972 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -126.9 109.43 11.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.064 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . 0.548 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 9.6 ttmt 65.83 99.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.986 0.803 . . . . 10.0 112.597 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.52 0.19 61.18 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.294 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.75 -171.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.349 0.66 . . . . 10.0 112.657 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.499 HD12 ' HB ' ' O' ' 31' ' ' ILE . 13.9 mm -92.17 111.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . 0.653 HG23 HG23 ' O' ' 32' ' ' ILE . 5.7 tt -134.37 137.32 51.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.022 0.439 . . . . 10.0 110.917 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.99 130.16 7.04 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.506 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.42 102.56 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -98.45 118.82 35.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.898 0.38 . . . . 10.0 111.863 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . 0.449 HG21 ' HZ ' ' N' ' 19' ' ' PHE . 25.8 t -117.2 130.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . 0.502 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -135.0 128.05 4.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.123 -1.037 . . . . 10.0 112.824 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.13 114.51 0.81 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.252 -0.739 . . . . 10.0 111.252 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 30.8 t -125.31 121.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.772 0.286 . . . . 10.0 110.48 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 19.2 t . . . . . 0 N--CA 1.457 -0.1 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -107.71 112.64 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.699 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -121.16 106.67 11.75 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.15 128.02 47.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.234 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB2' ' HD3' ' B' ' 16' ' ' LYS . 83.7 mttt -135.8 129.01 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.924 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.599 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -133.38 128.9 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.621 0.724 . . . . 10.0 112.108 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.38 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.407 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -87.9 100.12 12.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.766 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.8 102.26 11.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.725 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.33 117.51 31.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.3 143.94 44.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.034 0.445 . . . . 10.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 23' ' ' ASP . 2.9 t -124.02 32.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.663 0.744 . . . . 10.0 109.072 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.657 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -73.38 88.11 0.6 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.7 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -20.63 55.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.95 109.14 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.668 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 91.6 mttt 63.02 96.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.23 -23.61 77.89 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.68 -127.39 0.06 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' HB ' HG12 ' B' ' 31' ' ' ILE . 28.3 mm -109.86 135.91 47.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.019 0.438 . . . . 10.0 111.557 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.12 141.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.856 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -137.16 119.45 1.91 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.446 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.4 mt -116.27 101.36 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.443 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.6 mpt? -106.45 101.42 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.941 0.401 . . . . 10.0 111.829 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.37 112.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.755 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.29 90.71 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.036 -0.602 . . . . 10.0 112.486 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.42 83.3 0.58 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.009 -0.615 . . . . 10.0 111.605 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG21 ' HA3' ' I' ' 33' ' ' GLY . 25.7 t -82.76 109.33 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.892 0.377 . . . . 10.0 110.641 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.7 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.425 0.155 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 18.7 t -113.84 118.14 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 10.0 110.802 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -120.57 118.9 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.566 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -124.28 108.4 12.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.745 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -120.62 123.01 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.384 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 16' ' ' LYS . 3.8 tppp? -125.2 120.18 30.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.248 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.599 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -114.1 108.39 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.816 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' C' ' 18' ' ' VAL . 2.3 m -119.25 111.22 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 10.0 110.878 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -115.28 127.07 55.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -111.07 110.46 21.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.24 107.99 14.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.923 0.392 . . . . 10.0 110.376 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.75 120.03 40.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.75 148.35 31.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.656 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.5 t -129.06 26.44 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 10.0 109.538 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.657 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -68.25 78.02 0.23 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.879 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -64.29 -25.84 68.23 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.437 0.295 . . . . 10.0 111.747 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -136.55 108.86 7.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.69 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.722 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 79.0 mttt 63.96 103.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 114.319 1.229 . . . . 10.0 114.319 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.07 -19.28 79.95 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 111.071 -0.812 . . . . 10.0 111.071 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.59 -107.02 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.739 0.815 . . . . 10.0 112.939 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 96.6 mt -140.28 105.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.348 0.594 . . . . 10.0 111.363 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.677 HG22 HG12 ' C' ' 32' ' ' ILE . 41.2 pt -120.16 136.66 56.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.299 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.679 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -138.31 135.99 7.81 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.152 -1.023 . . . . 10.0 113.401 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.0 mp -127.47 122.18 32.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.443 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.6 mpt? -117.96 115.48 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 10.0 111.116 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.85 106.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.58 110.85 2.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.772 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.32 116.27 2.63 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.541 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -116.35 112.67 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.645 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.63 0.252 . . . . 10.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 t -121.76 116.63 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.047 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -117.59 121.51 41.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -121.69 111.1 16.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.107 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -123.76 119.63 30.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 10.0 110.743 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -124.99 124.08 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.361 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.452 HD13 ' HG ' ' B' ' 17' ' ' LEU . 5.4 mp -114.19 108.44 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.706 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.476 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.7 t -114.79 113.14 42.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -123.7 126.63 46.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 10.0 111.419 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -112.9 125.39 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.584 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.47 100.69 5.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -102.5 111.16 23.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.224 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -104.29 154.22 20.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.742 0.651 . . . . 10.0 109.577 179.516 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.8 t -133.47 27.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.315 0.579 . . . . 10.0 109.48 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.628 ' HA2' ' O ' ' D' ' 25' ' ' GLY . . . -69.07 75.55 0.33 Allowed Glycine 0 C--O 1.225 -0.438 0 CA-C-N 115.635 -0.711 . . . . 10.0 113.846 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.677 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 29.1 m -56.51 -34.08 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -124.5 106.19 9.98 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.722 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mttt 65.01 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.374 1.25 . . . . 10.0 114.374 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.07 -17.73 74.02 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.365 -1.094 . . . . 10.0 110.365 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.77 -117.57 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' B' ' 31' ' ' ILE . 36.8 mt -132.35 107.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 10.0 111.852 -178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.677 HG12 HG22 ' B' ' 32' ' ' ILE . 12.0 pt -117.5 139.94 42.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.375 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.32 124.92 3.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -119.54 107.55 13.43 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -111.5 118.87 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.313 0.577 . . . . 10.0 111.628 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 t -112.68 129.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.453 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.76 103.78 0.6 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.018 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.06 110.82 2.59 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.962 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.45 112.28 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.516 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 7.0 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.773 0.321 . . . . 10.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.01 116.7 50.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.431 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -117.67 123.21 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.542 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -122.56 102.56 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.16 121.49 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.171 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' HE2' ' E' ' 16' ' ' LYS . 63.2 mttp -127.84 120.79 28.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.118 0.485 . . . . 10.0 111.789 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' E' ' 17' ' ' LEU . 4.0 mm? -108.55 120.43 42.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.324 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 0.2 OUTLIER -128.51 111.55 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.367 . . . . 10.0 110.658 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -122.43 127.19 49.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.89 116.64 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.26 114.74 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 10.0 110.403 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -112.27 121.94 46.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.3 OUTLIER -116.25 158.49 23.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.522 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.9 t -139.3 23.01 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.628 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -69.97 81.47 0.34 Allowed Glycine 0 C--O 1.221 -0.708 0 CA-C-N 115.985 -0.552 . . . . 10.0 113.516 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 14.6 m -59.44 -23.18 62.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -134.0 108.0 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.776 0.287 . . . . 10.0 111.776 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' E' ' 28' ' ' LYS . 91.2 mttt 66.93 104.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 114.135 1.161 . . . . 10.0 114.135 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -17.07 80.28 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.138 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -132.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 46.6 mt -123.7 105.64 15.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 10.0 111.818 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.545 ' HB ' HG12 ' E' ' 32' ' ' ILE . 28.5 pt -118.15 141.3 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.646 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 131.11 6.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.422 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.23 119.32 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.537 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.3 mmt -117.56 110.53 18.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.545 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 t -109.77 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.33 116.94 4.36 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.56 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.19 119.08 3.31 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.637 -0.585 . . . . 10.0 111.637 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -117.2 120.68 65.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.981 0.419 . . . . 10.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.239 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.78 111.79 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.772 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -116.15 120.76 40.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.844 0.354 . . . . 10.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.91 114.89 24.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.337 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.57 116.5 23.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 10.0 110.211 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . 0.42 ' HE2' ' HD2' ' D' ' 16' ' ' LYS . 95.0 mttt -124.78 128.22 48.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.183 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.569 ' HB2' HD13 ' D' ' 17' ' ' LEU . 5.0 mp -126.35 107.8 10.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.014 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 11.5 t -114.24 119.39 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.681 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.428 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 12.9 m-85 -120.27 129.73 54.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.309 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -111.43 117.68 33.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.535 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.13 101.26 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -110.46 123.44 49.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.933 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.33 161.76 25.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.788 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' F' ' 26' ' ' SER . 1.9 t -136.18 28.64 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.845 0.355 . . . . 10.0 110.23 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.58 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -69.73 79.46 0.35 Allowed Glycine 0 C--O 1.222 -0.655 0 CA-C-N 116.335 -0.393 . . . . 10.0 113.024 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.594 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.4 m -53.7 -27.99 31.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.078 0.769 . . . . 10.0 113.078 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -129.08 106.69 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.936 -0.306 . . . . 10.0 111.173 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 80.5 mttt 68.55 100.62 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.179 1.177 . . . . 10.0 114.179 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.26 -24.05 74.84 Favored Glycine 0 CA--C 1.518 0.22 0 N-CA-C 110.172 -1.171 . . . . 10.0 110.172 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.48 -143.34 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 11.4 mm -102.1 114.92 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 10.0 111.921 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.545 HG12 ' HB ' ' D' ' 32' ' ' ILE . 1.2 pt -125.9 141.91 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.49 118.65 1.82 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.406 -0.902 . . . . 10.0 112.931 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -111.06 111.59 22.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.513 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -114.44 111.91 22.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.025 0.441 . . . . 10.0 111.844 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -108.1 124.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.81 103.47 0.58 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 10.0 112.217 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.26 116.55 3.85 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.003 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.443 HG21 ' HA3' ' M' ' 33' ' ' GLY . 27.3 t -118.68 115.88 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.756 0.313 . . . . 10.0 110.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.404 HG12 ' CG1' ' F' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.906 0.384 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.41 117.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.516 0.674 . . . . 10.0 110.672 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -119.86 123.26 43.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.722 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.04 113.36 19.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.495 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -119.33 112.44 19.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.917 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -120.29 114.92 22.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.55 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.35 126.33 55.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.681 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.96 119.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.457 0.646 . . . . 10.0 111.498 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.507 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 8.0 m-85 -120.16 132.96 55.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.757 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -116.61 108.25 15.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.81 110.17 19.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -125.86 121.72 34.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -118.44 163.64 16.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 2.1 t -128.65 9.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.995 0.426 . . . . 10.0 110.653 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -56.6 108.98 1.36 Allowed Glycine 0 C--O 1.215 -1.061 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.846 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 0.7 OUTLIER -82.82 -11.23 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.08 0.77 . . . . 10.0 113.08 -177.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -141.22 119.27 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.528 0.566 . . . . 10.0 112.528 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.733 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 15.4 tptm 59.54 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.75 -10.32 71.65 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.48 -108.31 0.11 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 24.7 mt -140.65 108.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.956 0.408 . . . . 10.0 111.259 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.652 HG22 ' HB ' ' G' ' 32' ' ' ILE . 12.7 pt -125.69 134.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.025 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.72 136.47 8.67 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.693 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -126.48 109.86 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 2.0 mpt? -108.98 121.77 45.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.978 0.418 . . . . 10.0 111.072 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.88 113.11 41.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.12 113.63 3.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.985 -0.626 . . . . 10.0 111.989 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.14 113.62 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.124 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.84 125.29 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 5.2 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.679 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.958 0.409 . . . . 10.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -116.89 95.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -111.21 124.81 52.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.874 0.369 . . . . 10.0 111.264 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -125.76 104.67 8.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.956 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -112.24 131.87 55.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.373 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -133.76 127.63 33.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.957 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.96 110.55 17.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.001 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -115.13 111.67 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.619 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -122.53 124.43 43.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.778 0.323 . . . . 10.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -116.08 125.2 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 105.71 6.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.524 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -124.98 119.91 30.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.23 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -126.68 132.7 51.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.4 t -87.67 61.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.17 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -65.26 172.06 22.85 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.325 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 7.4 m -148.63 -55.3 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.421 . . . . 10.0 109.885 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -125.96 111.86 15.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.733 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 45.5 mtmt 64.34 107.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.83 -15.33 78.14 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.81 -0.916 . . . . 10.0 110.81 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 75.36 -129.68 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 113.145 0.795 . . . . 10.0 113.145 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 54.3 mt -121.64 108.88 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.207 0.527 . . . . 10.0 111.544 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.652 ' HB ' HG22 ' F' ' 32' ' ' ILE . 56.1 mt -122.18 127.71 75.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.105 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.22 124.01 4.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.453 -0.879 . . . . 10.0 112.889 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.451 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 6.6 mp -108.13 125.45 51.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.532 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 17.5 mmt -122.88 104.78 9.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.931 0.396 . . . . 10.0 110.981 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.428 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 20.7 t -102.25 112.97 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -117.24 109.69 1.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.349 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.47 119.82 4.1 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.009 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 37.8 t -123.48 118.84 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 61.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.99 123.86 66.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.644 0.259 . . . . 10.0 110.701 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -128.51 119.96 25.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 10.0 110.841 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.25 111.35 18.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.805 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -126.58 125.68 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.373 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -134.89 134.02 40.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 10.0 111.977 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.82 127.48 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.018 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -129.2 111.11 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.146 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.09 126.2 45.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -120.91 113.38 20.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.6 120.38 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.707 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.69 147.74 52.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.132 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -155.59 172.51 18.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.731 -0.213 . . . . 10.0 110.511 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.446 HG13 ' HB ' ' G' ' 24' ' ' VAL . 2.4 t -129.23 75.19 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.032 0.444 . . . . 10.0 109.983 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.492 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -86.61 78.59 1.9 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.0 -0.546 . . . . 10.0 112.094 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.102 0.477 . . . . 10.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -130.14 104.97 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.465 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.843 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 26.9 ttpt 68.54 111.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.862 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.99 8.27 67.37 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.003 -0.618 . . . . 10.0 111.768 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.3 -158.7 0.32 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.13 0.572 . . . . 10.0 112.124 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 46.0 mt -105.68 107.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.167 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.11 141.79 42.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.23 129.99 6.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.895 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 49.0 tp -112.67 101.46 9.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.2 mpt? -106.99 135.28 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.923 0.392 . . . . 10.0 111.144 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.507 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 5.5 p -135.94 131.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.779 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.44 115.61 1.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.555 -0.831 . . . . 10.0 112.672 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.69 112.69 1.81 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.835 -0.698 . . . . 10.0 111.705 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 22.5 t -119.83 126.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.528 -0.748 . . . . 10.0 111.078 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' J' ' 12' ' ' VAL . 22.8 t -103.21 104.74 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -106.47 116.11 31.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.375 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.33 100.94 6.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -131.89 126.42 34.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.767 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' I' ' 16' ' ' LYS . 12.0 ptpt -140.63 134.01 29.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.155 0.502 . . . . 10.0 111.751 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.451 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.0 mp -119.88 117.03 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.452 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -121.72 121.89 65.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.951 0.405 . . . . 10.0 110.801 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -115.28 115.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.22 110.95 23.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.59 93.07 3.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.932 0.396 . . . . 10.0 111.36 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.13 112.18 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.98 140.34 46.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.415 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.792 HG22 ' HA ' ' J' ' 24' ' ' VAL . 27.3 m -122.38 33.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.607 0.718 . . . . 10.0 110.516 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -71.82 95.41 0.63 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.007 -0.997 . . . . 10.0 111.661 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -32.24 73.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.21 134.94 19.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 68.9 mttm 61.95 82.76 0.16 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.536 -1.211 . . . . 10.0 113.262 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.13 -26.37 73.38 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.91 -138.27 0.07 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 13.1 mm -97.83 137.51 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 10.0 112.21 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -148.11 141.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.498 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -138.77 120.3 1.91 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.435 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.74 107.61 13.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.534 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.4 mpt? -113.17 111.92 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 10.0 111.932 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.83 116.52 52.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.079 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.97 88.04 0.43 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.094 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 80.26 0.48 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.038 -0.601 . . . . 10.0 111.682 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.911 ' HB ' HG12 ' J' ' 39' ' ' VAL . 28.6 t -85.76 104.89 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.188 0.518 . . . . 10.0 110.462 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.591 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' K' ' 11' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.851 0.357 . . . . 10.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' I' ' 12' ' ' VAL . 27.1 t -114.27 117.2 54.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.638 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -117.11 117.66 30.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -122.1 106.43 11.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.224 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -120.11 123.41 43.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.73 123.44 35.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.375 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.51 ' HG ' HD13 ' K' ' 17' ' ' LEU . 5.6 mp -117.24 111.71 19.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.8 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 114.07 41.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.391 0.615 . . . . 10.0 111.284 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.51 122.61 45.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -106.31 114.59 28.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.891 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 109.02 13.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.819 0.342 . . . . 10.0 110.347 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -102.85 119.93 39.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.992 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.88 144.12 38.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.591 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.792 ' HA ' HG22 ' I' ' 24' ' ' VAL . 13.3 t -125.73 22.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.44 0.638 . . . . 10.0 109.663 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -70.09 67.58 0.67 Allowed Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.677 -0.692 . . . . 10.0 113.362 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.443 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 0.1 OUTLIER -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.047 0.758 . . . . 10.0 113.047 -179.294 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -130.57 110.14 11.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.054 -0.258 . . . . 10.0 111.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.696 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 11.4 mmmt 64.83 98.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.345 0.869 . . . . 10.0 113.345 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.51 -16.64 77.56 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.395 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.81 -95.01 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.612 0.765 . . . . 10.0 112.753 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 14.5 tt -160.52 106.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.811 0.815 . . . . 10.0 112.555 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.62 HG22 HG12 ' K' ' 32' ' ' ILE . 46.0 pt -116.86 142.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.419 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.81 131.51 5.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.347 -0.93 . . . . 10.0 113.1 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.4 mp -125.41 119.34 28.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.534 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.3 mpt? -122.48 109.66 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.01 0.433 . . . . 10.0 111.016 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.473 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.0 p -112.1 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.096 0.474 . . . . 10.0 110.52 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.55 125.04 6.52 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.973 -0.632 . . . . 10.0 111.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.51 115.64 1.4 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.866 -0.683 . . . . 10.0 111.539 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.911 HG12 ' HB ' ' I' ' 39' ' ' VAL . 3.9 m -114.56 119.13 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.112 0.482 . . . . 10.0 110.865 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.509 HG22 ' HB ' ' K' ' 40' ' ' VAL . 47.1 t . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.568 ' HB2' ' HG3' ' J' ' 11' ' ' GLU . 50.0 mt-10 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.92 0.391 . . . . 10.0 111.336 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.97 111.95 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.843 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -113.95 124.41 52.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.439 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -122.19 112.22 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.975 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -123.68 119.59 30.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.939 0.4 . . . . 10.0 110.655 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -123.83 125.38 44.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.51 HD13 ' HG ' ' J' ' 17' ' ' LEU . 5.5 mp -116.97 105.26 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.501 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 t -113.72 115.19 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.662 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.51 122.99 39.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.935 0.398 . . . . 10.0 111.329 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -108.75 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.107 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.5 104.93 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 10.0 110.19 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' L' ' 23' ' ' ASP . 34.0 tt0 -105.02 115.97 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.21 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -108.04 155.29 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.437 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . 0.755 ' O ' ' HA ' ' L' ' 26' ' ' SER . 7.4 t -134.12 25.92 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.152 0.501 . . . . 10.0 109.754 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . 0.643 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -68.8 74.34 0.33 Allowed Glycine 0 C--O 1.224 -0.507 0 CA-C-N 116.01 -0.541 . . . . 10.0 114.04 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 26' ' ' SER . . . . . 0.71 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 8.0 m -52.89 -37.48 60.58 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -123.68 113.41 18.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.206 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.696 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 88.5 mttt 61.48 98.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.81 -18.23 74.0 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.342 -1.103 . . . . 10.0 110.342 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.07 -120.13 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.329 0.862 . . . . 10.0 113.329 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 14.2 mt -130.28 105.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 10.0 111.837 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.62 HG12 HG22 ' J' ' 32' ' ' ILE . 8.9 pt -116.66 137.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.27 124.99 4.29 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 113.058 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.6 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -119.68 109.18 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -113.37 123.46 50.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 10.0 111.424 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -116.9 128.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.575 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.86 102.51 0.62 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.151 -0.547 . . . . 10.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.74 107.66 2.16 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.783 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 t -108.2 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.509 ' HB ' HG22 ' J' ' 40' ' ' VAL . 34.8 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.653 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 10.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 t -122.24 106.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' M' ' 40' ' ' VAL . 47.2 t60 -112.93 123.23 49.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.324 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -122.82 104.55 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.652 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -112.51 120.66 42.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -128.24 118.58 23.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.993 0.425 . . . . 10.0 111.862 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.7 mm? -107.95 118.23 36.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.362 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.09 110.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.023 0.439 . . . . 10.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.46 131.08 54.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.908 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.9 119.61 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.93 113.57 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -111.32 121.26 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.584 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -116.56 159.11 22.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 10.0 109.98 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.8 t -139.77 22.61 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . 0.627 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -70.45 78.92 0.44 Allowed Glycine 0 C--O 1.219 -0.785 0 CA-C-N 115.857 -0.61 . . . . 10.0 113.632 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 26' ' ' SER . . . . . 0.755 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 14.4 m -59.7 -23.99 63.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -129.06 105.77 8.42 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.311 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.9 mttt 65.48 103.49 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 114.343 1.238 . . . . 10.0 114.343 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.69 -18.15 78.53 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.83 -0.908 . . . . 10.0 110.83 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.21 -133.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.592 ' O ' ' HA ' ' M' ' 31' ' ' ILE . 47.3 mt -122.67 106.59 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.974 0.416 . . . . 10.0 111.868 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.415 ' HB ' HG12 ' M' ' 32' ' ' ILE . 35.4 pt -118.49 141.2 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.3 129.61 5.94 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.619 -0.801 . . . . 10.0 113.301 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -120.05 119.82 34.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -121.85 110.69 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.202 0.525 . . . . 10.0 111.05 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.08 106.29 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.215 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.537 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -111.43 116.83 4.32 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.364 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.03 120.12 3.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.081 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -119.99 124.56 72.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 9.2 p . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.605 0.241 . . . . 10.0 110.79 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 39.3 t -121.17 113.76 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.25 112.08 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.404 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -118.37 114.19 22.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.089 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -124.95 121.8 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.305 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.401 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -120.52 114.72 22.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.1 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.48 ' HB ' HG12 ' N' ' 18' ' ' VAL . 6.9 t -119.02 121.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.463 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.59 130.07 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.346 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -113.2 118.79 35.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.394 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.35 102.85 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 10.0 110.024 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -113.77 126.15 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.285 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.9 161.23 27.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' N' ' 26' ' ' SER . 1.8 t -132.89 29.18 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.813 0.339 . . . . 10.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.626 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -69.11 80.79 0.26 Allowed Glycine 0 C--O 1.223 -0.579 0 CA-C-N 116.281 -0.418 . . . . 10.0 113.396 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 26' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 2.3 m -54.77 -31.97 59.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -124.17 109.72 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.979 0.362 . . . . 10.0 111.979 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.59 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.8 tppt? 65.35 95.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.246 -0.888 . . . . 10.0 113.297 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -24.29 69.44 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.293 -0.723 . . . . 10.0 111.293 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' CD ' ' N' ' 28' ' ' LYS . . . 78.78 -143.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.6 mt -109.69 118.63 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 112.27 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.415 HG12 ' HB ' ' L' ' 32' ' ' ILE . 3.1 pt -126.28 145.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.918 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -134.43 121.03 2.57 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.86 108.68 17.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' N' ' 35' ' ' MET . 1.7 mpt? -113.7 113.61 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.005 0.431 . . . . 10.0 111.897 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.54 121.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.584 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 105.86 0.89 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.094 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.65 115.79 3.39 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.768 -0.73 . . . . 10.0 111.739 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.51 121.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.64 0.257 . . . . 10.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.586 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 1.6 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.3 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.654 0.264 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.2 118.09 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.942 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . 0.452 ' CE1' HG21 ' O' ' 40' ' ' VAL . 8.4 t60 -121.28 121.5 37.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -121.0 117.17 26.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.851 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -121.11 115.23 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.078 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -121.87 120.7 35.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.378 . . . . 10.0 111.366 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.64 121.57 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.358 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.48 HG12 ' HB ' ' M' ' 18' ' ' VAL . 2.0 m -128.7 119.11 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.107 0.48 . . . . 10.0 111.269 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -121.54 126.42 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -114.25 112.19 22.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.04 108.79 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -123.06 123.22 40.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.684 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -120.87 166.27 14.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.428 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.2 t -130.95 11.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.921 0.391 . . . . 10.0 110.395 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -58.87 102.85 0.31 Allowed Glycine 0 C--O 1.215 -1.052 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 26' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 0.8 OUTLIER -80.88 -5.54 57.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -143.38 114.81 8.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 2.4 tppp? 60.59 98.75 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.8 -7.63 66.18 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.663 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.99 -109.03 0.18 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 24.8 mt -141.08 107.85 2.11 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.846 0.355 . . . . 10.0 110.94 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.527 HG22 ' HB ' ' O' ' 32' ' ' ILE . 17.5 pt -125.78 135.31 64.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.663 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.25 137.97 9.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.831 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.1 mp -126.47 111.14 14.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' M' ' 35' ' ' MET . 1.8 mpt? -109.79 119.98 41.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.32 114.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.29 114.28 3.14 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.037 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.18 113.72 2.0 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.009 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 t -117.09 122.16 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.9 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.194 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.839 0.352 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.52 110.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' P' ' 13' ' ' HIS . 61.4 t60 -119.36 130.61 55.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.267 0.556 . . . . 10.0 111.558 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.43 110.97 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.455 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -115.55 125.59 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.523 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -126.32 124.43 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.025 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.64 108.94 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.544 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.51 ' HB ' HG23 ' P' ' 18' ' ' VAL . 9.1 t -118.0 113.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.468 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.38 126.14 46.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.792 0.329 . . . . 10.0 111.236 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -117.16 120.61 38.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.32 103.65 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.406 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -120.69 118.95 31.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.048 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.53 129.43 45.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.941 0.401 . . . . 10.0 110.088 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.428 ' HA ' HG23 ' N' ' 24' ' ' VAL . 6.5 t -85.96 65.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.079 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -65.35 173.2 20.72 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.723 -0.671 . . . . 10.0 112.895 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -152.78 -52.4 0.11 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.407 . . . . 10.0 109.915 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -130.53 116.93 18.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.387 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 93.6 mttt 67.28 107.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.51 -12.27 83.81 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.333 -1.107 . . . . 10.0 110.333 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 68.45 -135.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.558 0.743 . . . . 10.0 112.67 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 38.6 mt -121.26 107.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.197 0.522 . . . . 10.0 111.439 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . 0.527 ' HB ' HG22 ' N' ' 32' ' ' ILE . 52.2 mt -120.94 128.52 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.753 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.64 121.65 3.7 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.825 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -104.93 122.69 46.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.556 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.3 mmt -119.74 102.1 8.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.91 0.386 . . . . 10.0 110.655 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 t -101.37 111.03 29.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.136 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -115.6 111.36 2.42 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.476 -0.869 . . . . 10.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.99 118.95 3.45 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.132 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.38 125.59 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.035 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.801 0.334 . . . . 10.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.52 133.89 64.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.094 0.473 . . . . 10.0 111.376 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . 0.427 ' HB3' ' ND1' ' O' ' 13' ' ' HIS . 1.3 t-80 -128.43 118.39 23.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.112 -0.495 . . . . 10.0 109.749 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -117.72 109.89 17.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.9 126.69 55.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.981 0.42 . . . . 10.0 110.113 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -126.3 116.87 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.127 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 22.8 tp -122.67 115.35 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.086 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' O' ' 18' ' ' VAL . 13.7 p -132.45 136.31 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 10.0 111.425 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -137.8 134.32 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -119.31 115.66 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.354 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 116.0 20.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.623 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.46 148.08 49.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.911 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -158.05 172.59 18.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.41 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.78 72.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . 0.528 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -82.69 85.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.003 -0.617 . . . . 10.0 112.551 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -48.41 81.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.276 0.56 . . . . 10.0 110.755 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -126.97 107.43 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.346 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . 0.697 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 13.8 ttmt 70.63 111.67 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.998 0.811 . . . . 10.0 112.913 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.35 3.47 62.6 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.094 -0.574 . . . . 10.0 111.942 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . 0.414 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 64.2 -170.0 0.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.268 0.627 . . . . 10.0 112.431 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 59.6 mt -99.15 109.98 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.927 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . 0.422 HG13 HG23 ' O' ' 32' ' ' ILE . 18.1 pt -129.36 145.66 35.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 128.46 5.01 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.881 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -108.06 103.85 13.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.465 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.6 mpt? -103.13 125.93 50.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.731 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -119.81 122.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.549 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.55 102.62 0.83 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.637 -0.792 . . . . 10.0 112.199 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 113.04 2.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.772 -0.728 . . . . 10.0 112.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.42 130.7 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . 0.45 HG13 ' HB ' ' O' ' 40' ' ' VAL . 1.5 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.862 ' HG3' ' HG3' ' B' ' 11' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.747 0.308 . . . . 10.0 111.074 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 39.4 t -100.19 102.53 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -104.4 116.26 31.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 10.0 111.772 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -124.51 80.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.99 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -103.1 125.77 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.584 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -135.57 126.32 27.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.098 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -124.26 120.08 31.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 HG13 ' B' ' 18' ' ' VAL . 11.0 p -133.15 128.81 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.417 0.627 . . . . 10.0 111.729 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.24 118.6 31.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.57 109.94 22.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.265 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.56 109.64 21.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 10.0 111.023 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.758 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 5.5 tp10 -96.92 106.19 18.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -106.54 132.79 52.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.728 0.299 . . . . 10.0 111.311 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 23' ' ' ASP . 6.7 t -125.25 29.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.801 0.81 . . . . 10.0 110.082 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -78.03 122.77 6.1 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.796 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -28.72 10.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.706 -0.29 . . . . 10.0 111.613 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -133.9 116.37 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.014 0.376 . . . . 10.0 112.014 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 60.5 mttp 61.27 95.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -19.21 79.92 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.416 -1.074 . . . . 10.0 110.416 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.96 -122.01 0.25 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -121.08 128.66 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 10.0 112.069 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.515 HD12 HD11 ' B' ' 32' ' ' ILE . 2.8 tt -137.61 129.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.99 118.18 3.72 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.918 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.66 105.68 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.47 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.2 mpt? -110.88 111.69 23.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.995 0.426 . . . . 10.0 111.455 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.5 t -114.3 110.43 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.73 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.16 106.83 1.1 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.42 95.95 0.53 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.968 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -99.09 127.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 10.0 111.075 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' B' ' 40' ' ' VAL . 26.2 m . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.862 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 1.9 pt-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.965 0.412 . . . . 10.0 110.903 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 21.3 t -110.3 124.5 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.563 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -118.48 115.85 25.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.456 ' HD2' HG12 ' B' ' 12' ' ' VAL . 3.8 m-70 -119.29 114.94 23.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.752 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -130.88 123.43 28.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.201 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.38 122.54 33.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.363 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.439 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.9 mp -114.14 109.08 17.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.449 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.482 ' HB ' HG13 ' C' ' 18' ' ' VAL . 8.1 t -119.4 118.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -122.6 129.25 51.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.888 0.375 . . . . 10.0 111.324 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -108.65 119.69 40.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.689 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.09 103.58 7.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.703 0.287 . . . . 10.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.758 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 21.4 tt0 -101.62 122.0 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.31 146.31 42.51 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.763 0.665 . . . . 10.0 109.324 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.9 t -128.54 20.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.415 0.626 . . . . 10.0 109.806 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -67.47 85.06 0.14 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.789 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -32.85 72.93 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.707 0.289 . . . . 10.0 111.605 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.75 112.67 16.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 94.8 mttt 61.53 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -19.36 78.1 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 110.829 -0.909 . . . . 10.0 110.829 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.77 -108.64 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.037 0.754 . . . . 10.0 113.037 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 97.1 mt -139.44 105.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.368 0.604 . . . . 10.0 111.608 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.689 HG22 HG12 ' C' ' 32' ' ' ILE . 43.7 pt -119.33 139.3 47.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.086 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.91 136.24 7.86 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.419 -0.896 . . . . 10.0 113.498 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.1 mp -129.22 121.3 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.47 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -120.03 119.4 33.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.433 . . . . 10.0 111.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.88 114.48 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.598 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.59 109.78 1.82 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.931 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 116.06 3.17 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.614 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.92 115.19 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.622 ' HB ' HG12 ' A' ' 40' ' ' VAL . 61.1 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.407 . . . . 10.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.44 118.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.773 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -115.34 122.37 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.687 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -124.43 103.75 8.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.708 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -118.67 122.99 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.635 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.47 ' HD3' ' HE3' ' D' ' 16' ' ' LYS . 61.0 mtpt -130.03 127.28 39.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.201 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.11 115.88 24.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.682 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.482 HG13 ' HB ' ' B' ' 18' ' ' VAL . 2.5 t -126.07 115.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 10.0 110.891 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -117.75 128.46 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.936 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.64 110.22 21.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.13 108.02 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -112.62 115.85 29.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.345 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -107.92 157.03 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.538 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.75 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.4 t -135.03 26.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.235 0.541 . . . . 10.0 109.815 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.648 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.57 77.39 0.37 Allowed Glycine 0 C--O 1.224 -0.509 0 CA-C-N 115.791 -0.64 . . . . 10.0 114.108 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.661 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 0.9 OUTLIER -54.92 -32.12 60.84 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -126.15 113.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.585 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 94.6 mttt 61.05 99.79 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.471 1.285 . . . . 10.0 114.471 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.09 -21.7 77.07 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 110.22 -1.152 . . . . 10.0 110.22 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.35 -116.85 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 18.2 mt -131.73 108.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.957 0.408 . . . . 10.0 111.755 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.689 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -120.43 140.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.129 -0.322 . . . . 10.0 110.129 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.2 127.31 4.32 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.35 -0.929 . . . . 10.0 113.018 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.1 mp -122.23 111.41 16.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -113.68 119.5 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.185 0.517 . . . . 10.0 111.459 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -113.1 122.35 67.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.682 . . . . 10.0 109.625 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.67 109.46 1.24 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.104 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.35 114.86 3.07 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.743 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 t -114.15 114.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.412 ' O ' HD13 ' K' ' 31' ' ' ILE . 80.6 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.464 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 t -125.86 114.65 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.537 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -116.92 122.25 43.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 10.0 111.51 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -122.32 108.75 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.335 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -121.59 125.67 47.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.683 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.624 ' HB2' ' HG2' ' E' ' 16' ' ' LYS . 14.0 mptt -126.04 126.84 44.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 10.0 111.717 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' E' ' 17' ' ' LEU . 3.8 mm? -115.13 108.49 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 10.5 t -122.12 117.01 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.33 . . . . 10.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -123.85 128.38 49.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.376 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.62 119.87 40.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.325 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.88 101.98 6.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 10.0 110.042 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -107.92 116.99 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 2.4 t70 -112.67 161.21 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.919 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' E' ' 26' ' ' SER . 1.6 t -138.35 31.02 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.177 0.513 . . . . 10.0 109.69 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.646 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -74.4 75.19 1.21 Allowed Glycine 0 C--O 1.22 -0.761 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.36 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.75 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.8 OUTLIER -54.25 -21.92 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.477 0.918 . . . . 10.0 113.477 -178.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -134.96 109.01 8.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 99.8 mttt 64.61 102.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 -21.06 80.08 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.117 -0.793 . . . . 10.0 111.117 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.97 -117.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 69.7 mt -132.88 111.09 16.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.352 0.596 . . . . 10.0 112.11 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.5 pt -118.89 143.84 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.897 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.89 119.98 1.94 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.597 -0.811 . . . . 10.0 113.003 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.32 117.56 32.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.588 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 16.4 mmt -116.27 108.47 16.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.048 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -107.97 109.54 28.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.028 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -116.82 114.72 3.09 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.33 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.24 118.25 3.49 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.107 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.52 118.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.878 0.37 . . . . 10.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.431 ' O ' HD13 ' L' ' 31' ' ' ILE . 62.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.036 0.446 . . . . 10.0 110.74 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 t -107.59 99.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.59 121.44 42.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.859 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -123.62 110.58 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.01 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -129.61 122.13 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.043 0.449 . . . . 10.0 111.22 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.792 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 79.1 mttt -128.81 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.252 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.573 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.9 mp -124.15 112.35 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.754 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 14.6 t -122.04 122.34 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.412 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 10.5 m-85 -120.84 133.26 55.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.217 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.22 122.5 47.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.31 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.87 102.64 6.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.975 0.417 . . . . 10.0 109.972 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.54 118.65 37.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.952 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -111.46 164.04 13.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' F' ' 26' ' ' SER . 4.8 t -137.82 10.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 10.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.61 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -60.69 90.59 0.05 OUTLIER Glycine 0 C--O 1.218 -0.866 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.747 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.626 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.2 m -69.68 -6.78 33.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -149.37 118.03 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.911 -0.131 . . . . 10.0 111.194 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.735 ' O ' ' HA ' ' F' ' 28' ' ' LYS . 56.2 mttt 58.74 91.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.84 -23.8 67.73 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.705 -0.958 . . . . 10.0 110.705 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.518 ' HB2' ' HG3' ' F' ' 28' ' ' LYS . . . 77.06 -129.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.752 0.821 . . . . 10.0 113.05 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 8.6 mm -114.88 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.399 . . . . 10.0 111.772 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.661 HG22 ' HB ' ' F' ' 32' ' ' ILE . 20.8 pt -130.55 131.93 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.314 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.53 132.38 6.74 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.604 -0.808 . . . . 10.0 113.074 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.76 111.72 17.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.41 ' HB2' ' SD ' ' F' ' 35' ' ' MET . 1.9 mpt? -112.38 115.56 28.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.962 0.411 . . . . 10.0 111.285 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.36 118.06 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.0 109.0 1.54 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.15 -0.547 . . . . 10.0 112.092 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.05 113.94 2.77 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.26 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.89 114.22 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 35.4 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.811 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.023 0.44 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -126.05 118.94 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.315 0.578 . . . . 10.0 111.006 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.424 ' NE2' ' HB2' ' F' ' 15' ' ' GLN . 35.2 t60 -113.9 123.98 51.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.352 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -124.34 108.46 12.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.906 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.424 ' HB2' ' NE2' ' F' ' 13' ' ' HIS . 47.0 tt0 -127.94 120.21 27.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.781 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.792 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 54.2 mtmt -131.97 129.17 39.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.102 0.477 . . . . 10.0 111.332 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -121.77 127.04 50.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.798 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' G' ' 18' ' ' VAL . 6.0 p -136.22 120.34 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.482 0.658 . . . . 10.0 111.082 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -117.65 130.79 56.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.563 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.72 110.96 22.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.508 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.19 99.07 6.63 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -114.1 118.54 34.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.174 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.83 168.2 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 3.3 t -133.67 2.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.806 0.336 . . . . 10.0 110.527 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 103.04 0.19 Allowed Glycine 0 C--O 1.216 -0.996 0 C-N-CA 121.317 -0.468 . . . . 10.0 112.144 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 29.7 m -82.01 6.39 16.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 -177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -155.25 117.72 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.735 ' HA ' ' O ' ' E' ' 28' ' ' LYS . 46.7 tttt 54.52 96.4 0.02 OUTLIER 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.679 1.362 . . . . 10.0 114.679 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -22.35 70.5 Favored Glycine 0 C--N 1.331 0.299 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.76 -104.07 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 29.4 mt -134.88 107.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 10.0 111.402 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.661 ' HB ' HG22 ' E' ' 32' ' ' ILE . 60.6 mt -126.43 127.78 70.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 10.0 109.881 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.89 135.03 7.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.807 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.458 ' HG ' HD13 ' G' ' 34' ' ' LEU . 5.7 mp -121.35 115.1 22.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.62 ' HG3' ' HA3' ' N' ' 37' ' ' GLY . 16.7 mmt -112.31 116.1 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.838 0.351 . . . . 10.0 110.501 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -116.32 112.39 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.015 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.663 ' HA3' ' HG3' ' N' ' 35' ' ' MET . . . -117.65 114.77 3.02 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.997 -0.62 . . . . 10.0 112.668 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 114.02 2.41 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.0 -0.619 . . . . 10.0 111.99 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 44.7 t -117.53 117.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 4.5 p . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 120.642 0.258 . . . . 10.0 111.308 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.623 0.249 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 106.24 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -114.2 121.7 44.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 10.0 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.87 105.32 9.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.987 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' H' ' 15' ' ' GLN . 16.5 tt0 -123.51 125.62 45.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 10.0 111.024 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 48.6 mtmt -131.9 133.18 44.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.773 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.09 118.82 30.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' F' ' 18' ' ' VAL . 4.4 t -125.88 124.49 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 111.346 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.33 126.41 43.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.4 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -110.57 111.01 21.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.734 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.98 103.5 8.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.51 115.0 20.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.705 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -124.72 125.74 44.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 3.6 t -82.71 65.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.765 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -67.25 170.07 35.03 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.377 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -141.38 -49.12 0.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.059 0.457 . . . . 10.0 109.903 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.23 124.13 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 39.9 ttmt 64.27 98.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 -18.67 77.08 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 110.943 -0.863 . . . . 10.0 110.943 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.34 -120.08 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 58.6 mt -130.55 113.54 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.191 0.52 . . . . 10.0 111.967 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 42.7 mt -125.77 126.16 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 116.11 2.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.622 -0.799 . . . . 10.0 112.448 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.458 HD13 ' HG ' ' F' ' 34' ' ' LEU . 6.1 mp -98.8 125.94 44.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.1 mmt -122.2 113.97 20.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.813 0.339 . . . . 10.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.412 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.5 t -115.31 113.4 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.798 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.52 111.36 2.03 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.422 -0.894 . . . . 10.0 112.926 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 122.94 5.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 17.2 t -125.48 119.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.472 ' O ' HD13 ' O' ' 31' ' ' ILE . 59.6 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.211 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.645 0.259 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.53 123.68 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.381 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -127.0 127.28 44.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.936 0.398 . . . . 10.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -119.71 124.06 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.417 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' G' ' 15' ' ' GLN . 61.4 tt0 -141.5 124.65 16.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 10.0 111.232 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -137.01 117.38 13.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.369 0.604 . . . . 10.0 111.584 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.09 111.0 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 28.8 t -121.02 124.02 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -130.03 140.95 50.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.714 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -118.41 118.52 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.102 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.34 107.18 10.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.065 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.05 137.7 54.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.26 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.03 -175.43 4.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.354 . . . . 10.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.87 56.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.381 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -76.88 81.67 1.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.905 -0.589 . . . . 10.0 112.026 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -57.61 -44.72 85.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 10.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -135.61 118.78 16.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt 67.97 96.28 0.06 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.794 0.684 . . . . 10.0 111.739 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.44 6.75 35.75 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.237 -0.506 . . . . 10.0 112.513 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.27 -159.11 0.3 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.113 0.565 . . . . 10.0 111.815 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 60.1 mt -110.43 104.45 17.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 48.0 pt -121.2 151.51 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.25 111.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.705 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.1 106.97 18.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.604 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 5.5 ptp -120.33 128.05 52.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.097 0.475 . . . . 10.0 112.143 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.67 140.02 50.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.276 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.65 132.17 6.35 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.586 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.23 119.1 2.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.721 -0.551 . . . . 10.0 111.721 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 43.5 t -124.05 124.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.411 HG23 HG13 ' G' ' 40' ' ' VAL . 5.0 m . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.624 0.25 . . . . 10.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 t -94.48 107.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -109.98 110.43 21.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.726 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -120.9 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.317 0.58 . . . . 10.0 109.964 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.407 ' HG3' ' HB3' ' J' ' 15' ' ' GLN . 46.4 tt0 -114.67 133.11 56.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.955 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.513 ' HG3' ' HG2' ' J' ' 16' ' ' LYS . 12.2 ptpt -147.6 137.03 22.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.189 0.519 . . . . 10.0 111.676 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.22 125.11 48.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.685 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -125.47 116.49 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.014 0.435 . . . . 10.0 111.047 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.1 125.94 54.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.47 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.09 107.19 17.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.518 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.97 97.55 7.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.41 . . . . 10.0 110.357 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -96.85 107.89 20.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.839 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -104.86 142.56 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 111.533 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' J' ' 23' ' ' ASP . 5.7 t -129.04 31.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.872 0.844 . . . . 10.0 109.239 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -75.78 121.62 6.38 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.593 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -84.06 -45.02 13.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 10.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.07 141.44 30.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 66.8 mttm 61.1 87.05 0.1 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.546 -1.206 . . . . 10.0 113.365 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 -24.76 75.25 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.46 -137.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.5 129.31 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.13 0.491 . . . . 10.0 112.07 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -138.26 122.55 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.0 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.84 117.68 4.11 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.649 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.44 103.36 9.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.574 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.1 mpt? -111.55 117.83 34.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 10.0 112.031 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -116.53 108.23 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.405 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.92 104.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.433 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 99.89 0.99 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.31 112.11 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.71 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.854 0.359 . . . . 10.0 111.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -121.06 111.2 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -113.51 119.78 38.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.115 0.483 . . . . 10.0 111.576 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -123.54 112.76 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 25.7 tt0 -129.26 126.12 38.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.019 0.437 . . . . 10.0 111.346 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.578 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 58.0 mttt -126.22 126.23 43.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -119.16 101.52 8.06 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.72 117.52 55.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.992 0.425 . . . . 10.0 110.799 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.98 125.48 47.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.456 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.73 120.46 40.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.73 104.2 7.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.825 0.345 . . . . 10.0 110.447 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.35 124.27 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -117.01 148.15 41.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.863 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.9 t -129.1 19.71 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 10.0 110.11 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 84.53 0.1 Allowed Glycine 0 C--O 1.227 -0.343 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.428 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -68.36 -31.47 70.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -129.09 111.91 13.44 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.083 -0.247 . . . . 10.0 111.12 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.653 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 68.1 mttt 64.74 103.62 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.61 -20.43 76.61 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.37 -97.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 2.1 tp -152.14 102.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.514 0.673 . . . . 10.0 111.873 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.647 HG22 HG12 ' K' ' 32' ' ' ILE . 47.7 pt -115.99 140.56 37.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -139.24 132.18 5.56 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.238 -0.982 . . . . 10.0 113.548 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.1 mp -128.76 119.27 24.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.574 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -124.57 118.87 27.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.861 0.362 . . . . 10.0 111.223 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.538 HG23 ' HB ' ' K' ' 36' ' ' VAL . 4.1 p -118.52 118.25 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.126 0.488 . . . . 10.0 110.364 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.73 118.72 4.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.935 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 109.7 1.57 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.322 -0.711 . . . . 10.0 111.322 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.01 113.34 43.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.436 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.224 0.535 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -116.84 123.94 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.177 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' L' ' 40' ' ' VAL . 80.3 t60 -120.25 118.88 31.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -121.06 103.16 8.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.156 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -120.82 120.9 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 10.0 111.023 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . 0.578 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 40.6 mtmt -129.13 128.71 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.384 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.29 113.44 20.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.608 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 t -122.4 115.59 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.19 0.519 . . . . 10.0 110.55 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -117.4 129.99 56.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.62 115.71 30.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.95 109.29 12.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.107 0.479 . . . . 10.0 109.949 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -114.69 118.92 35.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -109.64 153.88 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . 0.689 ' O ' ' HA ' ' L' ' 26' ' ' SER . 3.7 t -131.17 25.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.376 0.608 . . . . 10.0 109.755 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . 0.643 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -67.72 77.39 0.2 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.676 -0.693 . . . . 10.0 113.313 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 26' ' ' SER . . . . . 0.67 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 2.3 m -56.35 -28.7 59.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -131.8 116.88 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.0 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.688 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 88.0 mttt 59.29 95.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.126 1.158 . . . . 10.0 114.126 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.88 73.8 Favored Glycine 0 C--N 1.33 0.247 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.1 -119.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 5.6 mt -126.63 111.32 25.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.877 0.37 . . . . 10.0 111.958 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.647 HG12 HG22 ' J' ' 32' ' ' ILE . 11.8 pt -123.32 137.23 57.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -133.73 126.49 4.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.334 -0.936 . . . . 10.0 113.332 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.548 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -122.43 114.93 21.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -118.07 121.4 40.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 10.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.538 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -113.92 125.42 71.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.723 -0.672 . . . . 10.0 109.626 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 106.07 0.89 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 121.021 -0.609 . . . . 10.0 111.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.16 113.4 3.04 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.811 -0.709 . . . . 10.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.77 114.23 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.739 0.305 . . . . 10.0 110.241 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.417 ' O ' HD13 ' C' ' 31' ' ' ILE . 39.1 t . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.348 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.342 -0.244 . . . . 10.0 110.342 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 115.27 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -117.43 121.67 41.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.95 0.405 . . . . 10.0 111.337 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . 0.644 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 5.0 m-70 -121.15 107.86 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.267 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -121.44 125.67 47.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . 0.644 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -129.68 125.5 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.068 0.461 . . . . 10.0 111.751 -179.599 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.9 mm? -112.61 113.12 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.349 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.8 t -123.07 116.68 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 10.0 110.523 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -123.16 125.93 46.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.851 0.358 . . . . 10.0 111.573 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.33 117.67 34.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.312 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.54 100.52 6.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 10.0 110.197 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -108.2 115.98 31.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.256 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.89 160.43 16.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.801 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 0.8 OUTLIER -138.97 32.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.012 178.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . 0.677 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -74.42 77.43 1.05 Allowed Glycine 0 C--O 1.22 -0.777 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.085 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' SER . . . . . 0.689 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.2 OUTLIER -52.3 -25.27 9.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -179.116 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -134.78 111.55 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.824 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.688 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.0 mttt 65.13 104.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -22.78 78.71 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.635 -0.986 . . . . 10.0 110.635 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.58 -106.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.154 1.168 . . . . 10.0 114.154 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 26.8 mt -142.56 110.05 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.166 0.508 . . . . 10.0 111.544 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 pt -119.9 142.78 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.112 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.26 121.81 2.39 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.791 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -118.2 118.18 31.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 0.435 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.6 mpt? -119.89 108.9 14.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.974 0.416 . . . . 10.0 111.192 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.45 109.09 26.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.826 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.588 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.29 114.29 3.24 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.431 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.05 120.11 4.24 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.144 -0.55 . . . . 10.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.15 121.02 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.166 0.508 . . . . 10.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -104.79 100.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.308 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . 0.407 ' CE1' HG21 ' N' ' 40' ' ' VAL . 4.4 t60 -102.24 121.79 42.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.941 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -122.91 108.47 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.086 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.92 120.0 30.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.833 0.349 . . . . 10.0 110.535 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -131.03 126.19 35.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.128 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -121.88 117.1 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.768 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 11.0 t -124.38 121.17 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.812 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -118.26 134.73 54.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.067 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -114.74 113.26 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.394 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 110.72 15.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.89 0.376 . . . . 10.0 110.176 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.78 123.19 45.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.056 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -112.42 163.86 13.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' N' ' 26' ' ' SER . 3.5 t -139.0 12.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.949 0.404 . . . . 10.0 110.215 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.677 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -61.34 97.81 0.15 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.927 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -66.78 -19.08 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.01 0.405 . . . . 10.0 112.07 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -141.91 119.94 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.716 0.294 . . . . 10.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 23.3 mttt 59.96 95.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.81 -18.58 72.51 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.42 -131.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 42.0 mt -117.55 113.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.153 0.502 . . . . 10.0 112.342 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.581 HG22 ' HB ' ' N' ' 32' ' ' ILE . 28.3 pt -127.3 137.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.09 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.62 134.56 7.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.849 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.16 108.9 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' N' ' 35' ' ' MET . 2.0 mpt? -111.65 117.99 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.053 0.454 . . . . 10.0 111.241 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -113.61 118.48 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.835 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.62 108.12 1.54 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.209 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.15 110.4 2.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.25 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.6 117.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.382 0.134 . . . . 10.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -125.07 117.95 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 10.0 111.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . 0.669 ' HE1' HG21 ' O' ' 40' ' ' VAL . 21.9 t60 -114.3 120.26 39.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.566 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.19 108.65 14.48 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . 0.46 ' HB2' ' NE2' ' N' ' 13' ' ' HIS . 35.3 tt0 -127.43 119.05 25.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.93 0.395 . . . . 10.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -132.65 130.25 39.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.497 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -123.94 117.61 25.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.685 -0.688 . . . . 10.0 109.973 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.65 119.35 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.565 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -120.28 124.22 45.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.25 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -105.48 114.73 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.432 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.83 105.61 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . 0.48 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 42.5 tt0 -122.62 121.81 37.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.617 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -116.62 162.26 17.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' O' ' 24' ' ' VAL . 2.7 t -127.47 4.64 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.69 0.281 . . . . 10.0 110.966 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 105.93 0.48 Allowed Glycine 0 C--O 1.215 -1.045 0 N-CA-C 111.507 -0.637 . . . . 10.0 111.507 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 26' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 1.3 m -83.1 11.79 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -165.63 124.31 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.696 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 21.9 tptm 60.47 87.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 124.054 0.846 . . . . 10.0 113.09 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -23.45 68.58 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.594 -0.812 . . . . 10.0 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.58 -108.09 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 18.5 mt -135.28 107.06 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.422 . . . . 10.0 111.443 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.581 ' HB ' HG22 ' M' ' 32' ' ' ILE . 56.8 mt -124.5 127.88 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.07 134.61 7.81 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.889 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.503 ' HG ' HD13 ' O' ' 34' ' ' LEU . 5.8 mp -120.14 115.92 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.663 ' HG3' ' HA3' ' F' ' 37' ' ' GLY . 19.5 mmt -113.3 114.5 26.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 10.0 110.39 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 t -114.96 110.91 33.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.069 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.62 ' HA3' ' HG3' ' F' ' 35' ' ' MET . . . -116.02 116.56 3.67 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.667 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.69 114.53 2.36 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.217 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 50.9 t -116.18 118.28 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 2.9 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.194 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' P' ' 12' ' ' VAL . 16.9 t -131.05 109.37 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.921 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -113.91 123.12 48.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.57 100.89 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.257 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -116.02 118.34 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 10.0 110.783 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -127.62 126.54 42.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.44 121.38 38.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.974 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.4 t -128.97 129.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.549 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.67 130.88 49.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -113.58 104.83 12.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.222 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.17 105.99 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' N' ' 22' ' ' GLU . 57.2 tt0 -130.03 120.59 24.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.09 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -127.12 129.34 47.75 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.451 ' HA ' ' CG2' ' N' ' 24' ' ' VAL . 3.6 t -86.94 63.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.36 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -67.22 167.04 40.39 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.6 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -134.16 -44.8 0.78 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.146 0.498 . . . . 10.0 109.774 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' P' ' 27' ' ' ASN . 7.3 t30 -144.99 122.95 12.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.06 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.696 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 35.8 ttmt 66.09 104.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.54 -13.91 83.02 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.798 -0.921 . . . . 10.0 110.798 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.51 -118.13 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 18.7 mt -131.85 113.25 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.232 0.539 . . . . 10.0 111.654 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mt -122.94 130.33 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.048 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.51 112.34 1.25 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.503 HD13 ' HG ' ' N' ' 34' ' ' LEU . 5.8 mp -96.1 123.63 39.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -120.68 112.08 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.703 0.287 . . . . 10.0 110.834 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.84 111.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.47 107.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 125.19 6.33 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.458 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 22.5 t -126.83 121.6 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.669 HG21 ' HE1' ' N' ' 13' ' ' HIS . 3.2 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' O' ' 12' ' ' VAL . 9.5 p -128.15 125.15 63.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -119.45 124.73 47.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.13 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -120.05 112.83 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.085 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -122.25 124.19 43.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.92 111.16 13.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.18 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.72 114.98 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.119 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.7 p -137.63 132.07 44.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 10.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.19 137.32 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -114.83 120.61 40.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.466 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 112.97 10.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.023 0.439 . . . . 10.0 111.031 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -128.63 144.19 51.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -141.7 -176.06 4.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.928 0.394 . . . . 10.0 110.312 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.19 54.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.95 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . 0.534 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -75.98 83.9 0.93 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.374 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.85 -49.51 73.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.599 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' O' ' 27' ' ' ASN . 7.4 t30 -131.66 115.15 15.67 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.243 -0.286 . . . . 10.0 111.579 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' P' ' 30' ' ' ALA . 24.7 ttmt 67.43 98.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.074 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.78 11.59 33.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.135 -0.555 . . . . 10.0 112.135 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.432 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 61.48 -158.78 0.33 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.227 0.611 . . . . 10.0 111.786 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 3.0 mp -102.65 108.56 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tt -122.82 131.33 73.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.448 . . . . 10.0 111.071 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 135.93 9.15 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.946 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.01 106.02 13.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.431 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.4 mpt? -100.31 114.53 28.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.922 0.391 . . . . 10.0 111.584 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -116.77 126.95 74.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.426 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . 0.604 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -134.69 135.37 7.91 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.373 -0.918 . . . . 10.0 112.515 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.17 112.77 0.73 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.075 -0.583 . . . . 10.0 111.766 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 42.6 t -119.59 122.46 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.688 0.28 . . . . 10.0 110.326 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.964 -0.541 . . . . 10.0 111.126 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 18.2 t -115.64 89.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.587 ' HE1' HG11 ' B' ' 40' ' ' VAL . 44.1 t60 -102.51 109.95 21.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.1 0.476 . . . . 10.0 111.849 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.4 ' HD2' HG12 ' A' ' 12' ' ' VAL . 46.4 m-70 -120.7 106.36 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.336 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.02 130.68 55.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.835 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HG2' ' B' ' 16' ' ' LYS . 56.6 mttm -131.32 123.28 27.96 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.102 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -130.86 120.48 23.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.42 ' CG1' HG12 ' B' ' 18' ' ' VAL . 14.3 p -146.81 128.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.597 0.713 . . . . 10.0 111.909 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -111.83 127.69 55.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.767 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.49 90.99 3.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.38 94.74 5.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.298 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -99.23 118.75 36.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.128 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -112.56 155.69 23.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.016 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 23' ' ' ASP . 3.8 t -122.16 39.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.716 -0.846 . . . . 10.0 108.716 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.625 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -72.86 85.45 0.56 Allowed Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.597 -0.729 . . . . 10.0 112.47 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -34.76 72.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.722 0.296 . . . . 10.0 111.54 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.38 112.88 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.8 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 65.3 mttp 61.75 103.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.01 74.58 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.259 -1.137 . . . . 10.0 110.259 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.73 -129.56 0.08 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HB ' HG12 ' B' ' 31' ' ' ILE . 23.7 mt -109.09 133.28 54.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.165 0.507 . . . . 10.0 111.862 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tt -141.04 139.67 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.805 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -133.68 107.81 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.492 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.5 102.87 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.493 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.1 mpt? -110.49 95.45 5.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.615 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.71 95.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.35 112.41 4.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.743 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.91 109.87 2.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 ' HA3' ' I' ' 33' ' ' GLY . 13.5 t -116.21 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.904 0.383 . . . . 10.0 110.034 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.647 179.482 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.674 0.273 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.61 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 9.3 t -104.82 109.55 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.425 ' CE1' HG11 ' C' ' 40' ' ' VAL . 46.7 t60 -114.04 116.46 29.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.654 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -123.98 115.11 20.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.129 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -129.34 120.32 25.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.194 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 61.5 mtpt -124.71 123.54 40.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.338 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.466 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -118.48 111.13 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.541 HG23 HG13 ' C' ' 18' ' ' VAL . 2.3 m -121.53 115.82 47.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 10.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.3 128.12 55.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.814 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -108.28 123.82 49.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.816 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.79 106.92 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.851 0.358 . . . . 10.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -103.27 124.97 49.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -116.0 154.76 29.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.779 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.734 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.8 t -135.11 20.42 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.446 0.641 . . . . 10.0 109.301 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.625 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -67.89 83.39 0.16 Allowed Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.61 -0.723 . . . . 10.0 113.254 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -69.11 -23.04 63.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.528 0.204 . . . . 10.0 111.266 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -133.75 107.25 7.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.659 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 96.7 mttt 63.95 108.38 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.07 -13.86 82.9 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.641 -0.984 . . . . 10.0 110.641 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.68 -105.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.091 0.774 . . . . 10.0 113.091 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 84.1 mt -143.54 101.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 10.0 110.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.735 HG22 HG12 ' C' ' 32' ' ' ILE . 49.5 pt -115.05 137.86 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.694 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.32 134.89 7.28 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.349 -0.929 . . . . 10.0 113.471 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.551 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.6 mp -132.44 114.36 14.23 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.493 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -113.39 126.29 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.352 0.596 . . . . 10.0 111.693 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.26 126.62 74.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.653 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.11 99.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.971 -0.633 . . . . 10.0 111.75 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.92 108.93 2.48 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.842 -0.694 . . . . 10.0 111.73 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.41 HG21 ' HA3' ' J' ' 33' ' ' GLY . 21.1 t -116.37 117.82 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.878 0.37 . . . . 10.0 110.524 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.587 HG11 ' HE1' ' A' ' 13' ' ' HIS . 58.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.705 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.17 114.82 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.54 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -118.85 118.7 32.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.466 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -123.3 110.62 15.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.244 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -119.0 119.38 34.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.06 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -124.34 122.73 38.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.001 0.429 . . . . 10.0 111.701 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.25 117.89 31.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.541 HG13 HG23 ' B' ' 18' ' ' VAL . 2.6 t -125.69 116.59 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.41 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -121.88 129.44 52.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.67 0.272 . . . . 10.0 111.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -112.55 121.12 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.442 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.1 108.02 10.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 10.0 110.061 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -112.31 120.22 40.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.019 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.9 OUTLIER -115.72 158.09 23.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.716 ' O ' ' HA ' ' D' ' 26' ' ' SER . 2.6 t -134.62 25.18 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.069 0.462 . . . . 10.0 109.939 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.567 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -70.86 83.45 0.39 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 116.131 -0.486 . . . . 10.0 113.479 -178.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.734 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 2.3 m -63.67 -16.09 60.08 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -137.84 112.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.684 -0.235 . . . . 10.0 111.397 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.714 ' O ' ' HA ' ' D' ' 28' ' ' LYS . 99.0 mttt 59.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.42 -19.34 70.6 Favored Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.62 -128.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 123.433 0.693 . . . . 10.0 112.489 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 3.1 mt -124.51 107.42 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.171 0.51 . . . . 10.0 111.704 -178.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.735 HG12 HG22 ' B' ' 32' ' ' ILE . 19.3 pt -118.45 137.79 51.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.076 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.3 126.88 4.71 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.346 -0.93 . . . . 10.0 113.199 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.551 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -121.74 116.35 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.724 ' HG3' ' HA3' ' K' ' 37' ' ' GLY . 14.6 mmt -114.27 121.65 44.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.945 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.2 111.07 33.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.454 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.47 114.83 3.25 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.202 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 111.56 1.71 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.25 119.55 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 10.0 110.545 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.449 ' HB ' HG22 ' B' ' 40' ' ' VAL . 64.4 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' E' ' 11' ' ' GLU . 26.8 mt-10 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.673 0.273 . . . . 10.0 110.764 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.07 107.07 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -110.69 119.78 40.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.8 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.59 111.48 17.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.212 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -122.55 121.43 36.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.496 ' HB2' ' HG3' ' E' ' 16' ' ' LYS . 43.5 mttp -129.38 124.38 34.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.155 0.502 . . . . 10.0 111.456 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -113.33 117.78 32.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.841 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 3.7 t -123.57 117.83 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.795 0.331 . . . . 10.0 110.51 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -123.82 126.46 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 10.0 111.555 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -108.07 117.82 35.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.414 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.78 110.57 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -119.36 120.46 36.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.445 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -116.37 159.37 22.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.4 ' CG2' ' HA ' ' E' ' 24' ' ' VAL . 2.7 t -134.45 10.03 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.184 0.516 . . . . 10.0 111.157 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.414 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -63.05 101.07 0.39 Allowed Glycine 0 C--O 1.219 -0.784 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.661 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.716 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 1.5 m -74.91 -5.79 45.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -143.47 112.27 6.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.924 -0.31 . . . . 10.0 111.75 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.714 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 97.7 mttt 62.02 101.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.16 76.63 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.495 -1.042 . . . . 10.0 110.495 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.87 -112.14 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.753 0.821 . . . . 10.0 113.193 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 52.9 mt -137.88 107.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 10.0 111.806 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.441 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.2 pt -115.2 143.13 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.946 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.23 110.51 0.78 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.364 -0.922 . . . . 10.0 113.261 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.08 117.43 34.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.591 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.8 mmt -116.24 111.16 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.052 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 t -107.84 119.46 57.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.686 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.22 106.13 0.84 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.883 -0.675 . . . . 10.0 112.263 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.42 115.71 3.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.945 -0.645 . . . . 10.0 111.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.56 120.3 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 10.0 110.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.205 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' HG2' ' D' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.871 0.367 . . . . 10.0 110.243 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.74 110.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.181 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -113.33 120.44 41.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.969 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -120.65 107.43 12.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.797 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.03 124.81 49.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.0 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.496 ' HG3' ' HB2' ' D' ' 16' ' ' LYS . 67.8 tttt -138.06 126.51 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.853 0.358 . . . . 10.0 110.859 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' F' ' 17' ' ' LEU . 5.7 mp -123.67 122.47 38.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.05 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 9.1 t -126.62 122.08 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.372 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.458 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -118.5 133.53 55.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.52 110.8 20.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.25 99.03 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -110.66 118.87 37.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.595 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -116.43 162.04 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.721 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.4 ' HA ' ' CG2' ' D' ' 24' ' ' VAL . 2.4 t -132.49 39.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' F' ' 26' ' ' SER . . . -61.12 179.75 3.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.649 -0.705 . . . . 10.0 114.12 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -152.58 -38.27 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.545 -0.327 . . . . 10.0 110.248 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -138.2 116.84 12.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 10.0 111.768 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 77.3 mttt 61.07 99.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.55 74.26 Favored Glycine 0 C--N 1.33 0.202 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' HD2' ' F' ' 28' ' ' LYS . . . 77.38 -121.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.481 HD13 ' HB ' ' D' ' 31' ' ' ILE . 6.8 mm -122.94 111.83 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.732 0.301 . . . . 10.0 111.702 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.31 130.77 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.827 0.346 . . . . 10.0 110.343 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.0 128.28 5.98 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.57 -0.824 . . . . 10.0 112.98 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.8 115.43 23.84 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.46 112.13 21.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.045 0.45 . . . . 10.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.3 110.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.947 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.17 110.34 2.16 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.058 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 114.24 2.56 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.727 -0.749 . . . . 10.0 111.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.7 t -116.02 114.34 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.66 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' G' ' 12' ' ' VAL . 4.3 p -134.13 109.52 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.418 0.627 . . . . 10.0 110.734 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.428 ' NE2' ' HB2' ' F' ' 15' ' ' GLN . 64.5 t60 -117.8 125.99 51.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.221 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.28 107.05 11.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.876 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.428 ' HB2' ' NE2' ' F' ' 13' ' ' HIS . 45.8 tt0 -114.3 121.02 42.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.546 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' HG2' ' G' ' 16' ' ' LYS . 91.8 mttt -127.03 121.83 32.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' E' ' 17' ' ' LEU . 5.1 mp -121.68 118.56 29.44 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.544 HG13 HG13 ' G' ' 18' ' ' VAL . 6.6 p -132.17 123.51 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.305 0.574 . . . . 10.0 111.382 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.445 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 7.5 m-85 -119.54 130.02 54.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -107.61 117.01 32.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.268 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 103.98 8.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.77 -0.455 . . . . 10.0 109.77 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -120.05 122.47 41.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.349 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -121.32 167.18 13.04 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' G' ' 24' ' ' VAL . 2.3 t -129.99 15.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 10.0 110.223 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -59.87 120.42 22.68 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 121.201 -0.524 . . . . 10.0 111.872 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.445 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.1 m -97.75 -9.82 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.81 127.08 12.15 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.973 -0.455 . . . . 10.0 111.999 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.63 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 17.2 tptm 57.72 89.74 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 124.155 0.909 . . . . 10.0 112.963 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.18 -20.45 67.2 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.532 -0.842 . . . . 10.0 111.518 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.739 0.815 . . . . 10.0 113.038 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 21.2 mt -135.21 110.61 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 10.0 111.44 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -124.6 130.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.217 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 129.3 6.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.741 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.56 106.99 12.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.423 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -109.91 117.83 34.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.093 0.473 . . . . 10.0 111.606 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -115.33 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.764 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 111.34 1.95 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.003 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.19 114.31 2.56 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.674 -0.774 . . . . 10.0 111.991 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.58 127.55 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 6.5 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 111.278 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.451 ' HA ' HG13 ' F' ' 12' ' ' VAL . 3.4 t -107.91 110.18 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.58 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -121.87 114.78 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.774 0.321 . . . . 10.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.403 ' HD2' HG12 ' G' ' 12' ' ' VAL . 35.2 m-70 -118.78 113.53 21.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.114 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -124.45 120.41 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.553 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 49.5 mtmt -129.18 125.52 37.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 10.0 111.591 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.43 121.11 40.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.8 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.544 HG13 HG13 ' F' ' 18' ' ' VAL . 5.2 t -126.58 117.98 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.569 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.28 125.47 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.726 0.298 . . . . 10.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.88 115.33 29.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.676 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.74 113.37 18.5 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.52 116.19 15.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 10.0 111.645 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -125.11 137.77 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' F' ' 24' ' ' VAL . 2.6 t -93.25 61.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.014 0.435 . . . . 10.0 110.309 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -63.79 172.09 15.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.028 -0.606 . . . . 10.0 113.114 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -149.12 -51.29 0.15 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.291 0.567 . . . . 10.0 109.777 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -139.39 120.61 14.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 29.0 ttmt 66.47 99.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.994 0.809 . . . . 10.0 112.743 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.79 -14.77 79.76 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.16 -132.58 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.671 0.788 . . . . 10.0 112.655 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' H' ' 31' ' ' ILE . 41.4 mt -122.67 107.28 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.447 . . . . 10.0 111.473 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 54.2 mt -120.54 126.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.237 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.34 122.8 4.91 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.341 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -107.93 121.0 43.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.568 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 20.0 mmt -118.45 109.05 15.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.91 0.386 . . . . 10.0 111.047 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.458 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.6 t -107.48 110.58 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.139 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.444 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -116.44 111.0 2.25 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.3 118.26 3.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.087 -0.577 . . . . 10.0 111.721 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -122.72 118.95 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.715 0.293 . . . . 10.0 110.43 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 42.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.457 0.17 . . . . 10.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.42 96.38 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -102.15 130.28 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.827 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -129.7 99.76 5.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.794 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -119.56 123.61 44.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 4.5 ptmt -138.0 131.17 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.021 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -121.42 118.74 30.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.369 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 84.5 t -124.97 123.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 10.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -123.54 137.02 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -112.85 107.66 16.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.22 114.3 27.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -131.21 133.36 45.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.577 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -151.22 174.65 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.42 HG13 ' HB ' ' G' ' 24' ' ' VAL . 11.0 t -138.09 72.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -91.04 81.43 1.3 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.953 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -56.58 -48.96 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 10.0 110.994 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -126.07 107.41 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' G' ' 28' ' ' LYS . 32.1 ttpt 66.55 97.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.301 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 2.98 42.9 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.888 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.57 -164.97 0.19 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.121 0.568 . . . . 10.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 63.7 mt -95.39 113.58 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.064 0.459 . . . . 10.0 110.668 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 mt -118.15 132.94 66.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.762 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' P' ' 39' ' ' VAL . . . -132.15 111.65 1.07 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.564 -0.827 . . . . 10.0 112.493 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 73.7 mt -105.92 107.04 17.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.913 0.387 . . . . 10.0 110.056 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.568 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.1 mpt? -110.83 119.42 39.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.956 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.445 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 7.4 p -120.25 128.06 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.075 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -127.85 122.8 4.25 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.369 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.87 117.67 2.53 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.255 -0.738 . . . . 10.0 111.255 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.92 116.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.709 -0.662 . . . . 10.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.656 0.265 . . . . 10.0 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.473 HG12 ' HD2' ' I' ' 14' ' ' HIS . 23.1 t -104.6 112.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.482 ' HE1' HG11 ' J' ' 40' ' ' VAL . 49.7 t60 -114.71 116.02 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 10.0 111.287 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.473 ' HD2' HG12 ' I' ' 12' ' ' VAL . 60.0 m-70 -127.51 106.83 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -133.92 130.45 37.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.263 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -144.01 130.41 19.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.488 . . . . 10.0 111.783 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.43 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.3 mp -120.39 121.36 38.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.391 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -128.19 126.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.911 0.386 . . . . 10.0 111.104 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -115.09 124.42 51.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.645 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -103.63 95.44 6.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.71 0.29 . . . . 10.0 110.869 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.05 95.31 7.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.296 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.76 96.16 9.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.766 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.8 146.63 26.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.752 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.492 HG23 ' O ' ' J' ' 23' ' ' ASP . 3.4 t -127.11 36.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 10.0 109.535 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.639 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -74.04 91.66 0.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.972 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -147.56 130.29 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.385 0.612 . . . . 10.0 112.649 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 97.8 mttt 65.86 93.0 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.577 -1.192 . . . . 10.0 113.721 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.14 -27.83 63.39 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.102 -0.799 . . . . 10.0 111.102 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.78 -133.5 0.07 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.3 mm -98.74 140.8 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 10.0 111.68 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -151.91 139.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.977 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.46 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -135.26 113.87 1.17 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.822 -0.704 . . . . 10.0 112.224 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -117.82 99.54 6.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.586 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.0 mpt? -106.79 104.3 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.088 0.471 . . . . 10.0 111.819 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.419 ' HA ' HG13 ' J' ' 36' ' ' VAL . 32.6 t -103.87 99.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.509 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 113.88 4.81 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.679 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.73 95.8 0.69 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.723 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.58 HG21 ' HA3' ' A' ' 33' ' ' GLY . 21.3 t -105.0 96.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.499 . . . . 10.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.618 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' K' ' 11' ' ' GLU . 11.9 tt0 . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.61 109.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.162 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -110.1 118.69 37.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -124.64 111.48 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -124.86 122.26 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 10.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.521 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 91.7 mttt -121.73 125.25 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.7 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.43 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.5 mp -122.68 114.21 20.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.413 HG23 HG13 ' K' ' 18' ' ' VAL . 0.0 OUTLIER -127.58 116.55 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 10.0 111.304 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -117.22 123.03 45.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.725 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.36 123.25 47.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.786 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.25 107.86 9.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.968 0.414 . . . . 10.0 110.69 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -104.17 126.3 51.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.413 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -119.74 150.55 40.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.689 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.4 t -132.37 25.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.639 ' O ' ' HA2' ' I' ' 25' ' ' GLY . . . -69.82 83.21 0.3 Allowed Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 113.049 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -37.48 80.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.319 . . . . 10.0 111.634 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -125.45 114.04 18.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.976 0.361 . . . . 10.0 111.976 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.66 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 84.2 mttt 63.72 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.2 -16.6 79.44 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.52 -95.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.79 0.836 . . . . 10.0 112.809 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.1 tt -160.44 102.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.905 0.859 . . . . 10.0 112.295 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.624 HG22 HG12 ' K' ' 32' ' ' ILE . 41.0 pt -113.18 141.41 28.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.764 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -136.11 130.15 5.19 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 10.0 113.092 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.547 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.2 mp -128.01 116.45 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.586 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -121.86 120.22 33.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.011 0.434 . . . . 10.0 111.447 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.6 p -121.04 124.48 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.011 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.33 109.21 1.46 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.108 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.62 110.15 2.88 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.256 -0.738 . . . . 10.0 111.256 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -114.17 112.87 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.962 0.41 . . . . 10.0 110.024 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' K' ' 40' ' ' VAL . 58.3 t . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.447 ' HB3' ' HG3' ' J' ' 11' ' ' GLU . 46.5 tt0 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.15 109.54 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -113.53 118.58 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.767 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.55 110.84 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.318 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -122.88 126.17 46.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.68 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . 0.521 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 53.7 mtmt -128.72 127.74 42.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 10.0 111.695 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.84 110.6 16.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.493 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.413 HG13 HG23 ' J' ' 18' ' ' VAL . 2.6 t -121.05 117.61 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.661 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.53 129.36 52.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -111.86 114.73 27.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.373 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.73 113.05 17.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.743 0.306 . . . . 10.0 110.205 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -117.55 126.86 53.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.261 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.9 OUTLIER -120.02 156.36 31.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 179.32 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' L' ' 26' ' ' SER . 2.5 t -133.36 24.97 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . 0.564 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -70.87 85.88 0.37 Allowed Glycine 0 C--O 1.219 -0.786 0 CA-C-N 116.026 -0.533 . . . . 10.0 113.407 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 26' ' ' SER . . . . . 0.758 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 4.4 m -63.77 -15.02 57.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -138.97 112.99 8.58 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.699 -0.4 . . . . 10.0 111.47 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 90.1 mttt 57.82 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.16 64.4 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.16 -127.74 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.568 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 11.7 mt -122.35 104.59 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.393 . . . . 10.0 111.825 -177.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.624 HG12 HG22 ' J' ' 32' ' ' ILE . 14.1 pt -117.36 137.43 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -132.44 127.94 5.03 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.302 -0.951 . . . . 10.0 113.28 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.547 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 5.8 mp -123.57 118.14 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.58 123.52 45.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' J' ' 36' ' ' VAL . 3.8 t -118.34 115.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.786 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' C' ' 35' ' ' MET . . . -116.24 110.63 2.21 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.04 111.35 2.27 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.724 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.67 117.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.831 0.348 . . . . 10.0 110.536 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' J' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.126 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.038 0.447 . . . . 10.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.84 111.57 34.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.777 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -114.98 118.85 34.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 10.0 111.119 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -121.3 104.01 9.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.427 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.4 126.61 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.567 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . 0.481 ' HB2' ' HG2' ' M' ' 16' ' ' LYS . 5.9 mttt -131.98 126.84 34.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 10.0 111.644 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -115.61 114.05 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.229 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.4 t -120.73 117.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 10.0 110.298 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.41 128.5 49.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.852 0.358 . . . . 10.0 111.571 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -110.29 123.62 50.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.039 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.07 108.12 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.873 0.368 . . . . 10.0 110.144 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -114.07 119.92 38.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.467 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -113.55 154.75 26.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.701 -1.222 . . . . 10.0 107.701 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.85 11.08 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.126 0.488 . . . . 10.0 111.506 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -63.96 104.34 0.86 Allowed Glycine 0 C--O 1.216 -1.004 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.214 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 2.4 m -80.08 -0.15 34.48 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -148.27 111.89 5.04 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.2 -0.313 . . . . 10.0 111.515 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.1 mttt 61.41 97.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 114.111 1.152 . . . . 10.0 114.111 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.22 73.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.87 -114.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.568 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 33.7 mt -135.57 112.97 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.522 . . . . 10.0 111.976 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 pt -121.59 142.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.43 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.55 119.22 2.14 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.799 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' HB2' ' M' ' 34' ' ' LEU . 7.9 mp -117.75 112.77 20.88 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.28 112.55 22.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.154 0.502 . . . . 10.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.26 116.19 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.351 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -120.11 107.38 1.31 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.768 -0.729 . . . . 10.0 112.332 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.08 119.31 4.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -120.34 124.92 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 11.1 p . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.286 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 10.0 111.38 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.45 104.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . 0.428 ' HE1' HG21 ' N' ' 40' ' ' VAL . 21.6 t60 -110.81 123.74 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 111.543 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -124.61 110.34 14.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.076 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -122.36 117.51 26.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . 0.481 ' HG2' ' HB2' ' L' ' 16' ' ' LYS . 48.3 mtpt -128.18 122.11 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 10.0 111.086 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.0 117.25 27.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 8.6 t -124.71 122.93 64.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.981 0.419 . . . . 10.0 111.183 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . 0.447 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 8.1 m-85 -116.86 131.79 56.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.226 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.18 104.89 12.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.169 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.9 105.67 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.99 121.92 42.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.154 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -118.64 159.65 23.23 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.2 37.08 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.09 0.471 . . . . 10.0 109.85 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -58.9 174.23 3.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.606 -0.724 . . . . 10.0 113.94 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -145.16 -40.71 0.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.791 0.329 . . . . 10.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.11 122.71 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.1 tppp? 61.41 96.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -21.29 73.46 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 78.29 -120.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.4 mt -131.77 113.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 10.0 111.733 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.403 HG22 HG13 ' N' ' 32' ' ' ILE . 20.0 pt -123.01 141.62 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.085 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.9 127.47 4.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.454 -0.879 . . . . 10.0 113.095 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.406 ' HB2' ' HG ' ' L' ' 34' ' ' LEU . 6.4 mp -122.34 113.18 19.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.84 113.23 23.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.069 0.461 . . . . 10.0 111.334 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.46 112.66 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.09 109.54 2.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.774 -0.726 . . . . 10.0 112.194 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.98 114.35 2.79 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 23.1 t -116.77 117.62 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' N' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.988 0.423 . . . . 10.0 112.06 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.34 118.74 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.699 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -120.05 123.58 43.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.654 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.56 105.81 10.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.64 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -114.74 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.336 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.26 122.12 28.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.309 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.57 119.65 34.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.921 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.78 121.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.545 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.65 126.22 48.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.87 122.59 46.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.581 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.97 102.93 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -118.43 120.92 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.994 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -119.83 166.71 12.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.504 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 t -128.91 10.07 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.295 0.569 . . . . 10.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 124.87 37.08 Favored Glycine 0 C--O 1.22 -0.781 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.937 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 26' ' ' SER . . . . . 0.564 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 0.8 OUTLIER -103.97 -12.79 16.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.148 0.499 . . . . 10.0 111.995 -178.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -143.05 125.03 15.2 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.727 -0.608 . . . . 10.0 111.527 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.599 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 0.1 OUTLIER 57.85 93.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.957 0.786 . . . . 10.0 112.872 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.61 66.73 Favored Glycine 0 C--N 1.331 0.251 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.75 -117.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.826 0.85 . . . . 10.0 113.119 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 33.9 mt -136.35 109.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.989 0.423 . . . . 10.0 111.36 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.774 HG22 ' HB ' ' O' ' 32' ' ' ILE . 1.2 pt -126.8 131.34 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.87 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.97 131.63 7.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.019 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.59 105.82 12.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -108.76 117.52 34.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.063 0.459 . . . . 10.0 111.412 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.41 118.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.662 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.423 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -121.92 111.06 1.74 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.55 114.97 2.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.98 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 t -118.06 121.63 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' N' ' 11' ' ' GLU . 17.2 tt0 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.868 0.366 . . . . 10.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.37 116.73 47.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.705 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . 0.57 ' HE1' HG21 ' P' ' 40' ' ' VAL . 24.6 t60 -119.49 118.79 32.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.492 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . 0.688 ' HB2' ' HD2' ' P' ' 14' ' ' HIS . 90.7 m-70 -120.54 113.61 20.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.484 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . 0.423 ' HG3' ' HB3' ' P' ' 15' ' ' GLN . 14.2 tt0 -121.19 119.19 31.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.14 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.01 118.56 24.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 111.723 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -116.28 119.61 36.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.886 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.1 t -127.86 125.27 64.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.848 0.356 . . . . 10.0 110.861 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -123.37 128.72 50.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.7 110.03 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.57 111.79 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 10.0 110.068 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' P' ' 22' ' ' GLU . 27.2 tt0 -130.89 127.06 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.842 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.2 137.42 40.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.846 0.355 . . . . 10.0 110.076 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -90.34 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.151 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -66.17 171.6 27.68 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.982 -0.627 . . . . 10.0 112.566 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -152.51 -48.2 0.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.098 0.475 . . . . 10.0 110.136 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.63 118.37 11.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.242 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.599 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 96.1 mttt 67.18 100.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.388 0.884 . . . . 10.0 113.388 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.54 -9.05 81.85 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.86 -141.79 0.06 Allowed 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 123.551 0.74 . . . . 10.0 112.393 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' P' ' 31' ' ' ILE . 29.6 mt -116.61 108.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.024 0.44 . . . . 10.0 111.358 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . 0.774 ' HB ' HG22 ' N' ' 32' ' ' ILE . 63.6 mt -122.1 129.41 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.871 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.62 121.04 4.22 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.716 -0.754 . . . . 10.0 112.607 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.45 119.13 38.26 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 19.7 mmt -117.38 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.726 0.298 . . . . 10.0 110.774 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 6.7 t -107.69 107.4 22.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . 0.532 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -114.21 111.81 2.68 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.29 118.83 3.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.197 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.53 123.67 67.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.2 p . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.049 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.9 119.64 41.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.696 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -115.16 127.88 55.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.643 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . 0.688 ' HD2' ' HB2' ' O' ' 14' ' ' HIS . 24.4 m170 -121.68 104.21 9.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.764 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . 0.423 ' HB3' ' HG3' ' O' ' 15' ' ' GLN . 48.2 tt0 -111.51 114.88 28.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.104 0.478 . . . . 10.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -116.48 130.91 57.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.984 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' P' ' 17' ' ' LEU . 7.5 tp -138.89 108.94 6.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.263 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 12.3 p -127.02 134.29 66.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.774 0.321 . . . . 10.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -130.05 144.69 51.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -120.96 111.74 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.99 118.17 27.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.469 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' O' ' 22' ' ' GLU . 0.1 OUTLIER -141.89 142.39 33.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.208 179.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -149.88 176.44 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 t -129.05 70.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . 0.436 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -91.39 75.5 1.52 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.166 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -57.3 -47.42 81.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -123.14 108.61 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.317 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt 67.3 96.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.741 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.36 -1.27 50.51 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.436 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.33 -174.28 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.611 0.764 . . . . 10.0 112.4 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 63.1 mt -87.61 113.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.205 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -120.41 131.85 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.29 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.26 121.46 3.53 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -117.49 104.56 11.2 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HB2' ' O' ' 35' ' ' MET . 1.9 mpt? -104.79 119.09 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.153 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -109.11 125.36 66.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.624 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.41 112.24 1.75 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.681 -0.771 . . . . 10.0 111.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.15 115.3 2.15 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.256 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.443 HG21 ' HA3' ' H' ' 33' ' ' GLY . 26.6 t -126.86 133.96 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . 0.57 HG21 ' HE1' ' O' ' 13' ' ' HIS . 14.9 p . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.107 -0.949 . . . . 10.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 23.1 t -96.45 119.97 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -121.34 105.8 10.87 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -114.87 96.08 5.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.091 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -118.95 116.02 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -131.52 127.77 37.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.948 0.404 . . . . 10.0 111.667 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.64 118.91 29.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.672 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -128.25 120.04 52.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.351 . . . . 10.0 110.947 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -114.56 124.3 51.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.55 99.86 11.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.889 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.7 97.76 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.97 0.415 . . . . 10.0 110.955 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.776 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 8.2 tp10 -81.21 147.53 29.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.502 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.1 OUTLIER -143.19 128.36 18.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.31 . . . . 10.0 111.553 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 23' ' ' ASP . 4.1 t -127.24 25.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.614 0.721 . . . . 10.0 109.361 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -71.35 104.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.546 -0.752 . . . . 10.0 112.741 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.91 -30.79 45.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -141.77 119.62 11.9 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 63.1 mttp 61.23 101.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 114.841 1.422 . . . . 10.0 114.841 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -25.68 66.23 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.353 -1.099 . . . . 10.0 110.353 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.01 -130.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.01 129.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.228 0.537 . . . . 10.0 112.19 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -136.68 134.18 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.011 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.559 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -128.78 105.73 0.72 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.945 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.99 97.94 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.534 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.5 mpt? -105.79 113.55 27.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.055 0.455 . . . . 10.0 112.052 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 132.87 59.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.919 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.62 0.25 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.047 -0.597 . . . . 10.0 111.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.46 85.92 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.579 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 ' HA3' ' I' ' 33' ' ' GLY . 7.2 t -90.28 101.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.907 -179.712 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.64 0.257 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.419 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 33.8 t -111.56 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.085 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -115.19 116.24 28.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.819 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -122.14 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.874 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -127.77 116.85 20.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.035 0.445 . . . . 10.0 110.413 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -124.86 118.61 26.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.878 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.85 118.78 37.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.593 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.6 t -127.26 118.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.58 132.55 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.995 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -111.25 114.25 27.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.88 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.6 104.06 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.141 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.776 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 4.2 tt0 -99.75 117.66 34.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.53 144.24 38.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.433 0.458 . . . . 10.0 110.522 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.668 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.1 t -131.16 24.42 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.501 0.667 . . . . 10.0 109.362 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.691 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -69.52 77.04 0.37 Allowed Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.631 -0.713 . . . . 10.0 113.271 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -59.92 -38.86 83.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.04 103.48 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.923 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 95.2 mttt 63.91 105.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.819 1.414 . . . . 10.0 114.819 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -19.6 79.76 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 110.711 -0.956 . . . . 10.0 110.711 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -102.09 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.683 0.793 . . . . 10.0 112.826 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 81.4 mt -139.98 104.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.105 0.478 . . . . 10.0 111.236 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.732 HG22 HG12 ' C' ' 32' ' ' ILE . 44.8 pt -116.79 131.34 69.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.222 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.73 134.42 7.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.218 -0.991 . . . . 10.0 113.498 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.8 mp -131.19 122.54 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.534 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.5 mpt? -120.75 118.55 30.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.226 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.57 103.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.068 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.89 114.23 4.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 114.04 1.96 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.832 -0.699 . . . . 10.0 111.803 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 t -113.68 107.79 23.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.732 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.634 ' HG3' ' HB3' ' D' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.45 110.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.635 -0.257 . . . . 10.0 110.757 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -113.94 120.71 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.629 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.81 105.44 8.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.595 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' D' ' 15' ' ' GLN . 19.3 tt0 -118.34 125.55 50.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.958 0.408 . . . . 10.0 110.775 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.54 ' HB2' ' HG3' ' D' ' 16' ' ' LYS . 45.7 mtpt -127.47 123.57 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.941 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.31 110.97 17.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.806 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 5.8 t -123.52 118.15 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.493 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -121.16 128.06 52.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.232 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -107.59 122.05 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.321 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 104.97 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.42 118.45 36.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -109.28 155.09 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.338 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.3 t -134.7 26.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 10.0 109.789 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.691 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.06 75.11 0.34 Allowed Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.691 -0.686 . . . . 10.0 113.99 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.668 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 13.9 m -58.1 -23.53 55.15 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -129.69 99.69 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.661 -0.245 . . . . 10.0 111.22 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.0 mttt 65.64 107.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 114.887 1.439 . . . . 10.0 114.887 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.31 -21.08 79.4 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 110.13 -1.188 . . . . 10.0 110.13 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.26 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 25.6 mt -133.91 105.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.057 0.456 . . . . 10.0 111.414 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.732 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -117.21 139.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.368 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.55 3.06 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.433 -0.889 . . . . 10.0 112.84 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.2 mp -118.46 110.58 17.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.87 120.6 42.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.306 0.574 . . . . 10.0 111.701 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -112.19 124.44 68.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.266 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.71 105.96 0.77 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.004 -0.617 . . . . 10.0 112.114 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.11 115.19 3.18 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.783 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.69 117.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.591 179.784 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.634 ' HB3' ' HG3' ' C' ' 11' ' ' GLU . 7.8 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.934 0.397 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.442 HG12 ' HD2' ' D' ' 14' ' ' HIS . 4.6 t -114.42 114.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.311 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.428 ' CE1' HG21 ' E' ' 40' ' ' VAL . 76.4 t60 -114.65 119.5 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.226 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.442 ' HD2' HG12 ' D' ' 12' ' ' VAL . 14.4 m-70 -121.05 110.96 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.384 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 19.7 tt0 -122.6 120.22 33.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.242 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' C' ' 16' ' ' LYS . 1.5 mptt -126.17 122.6 36.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 10.0 111.627 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.38 114.92 25.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.47 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 2.8 t -127.56 119.72 52.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.898 0.38 . . . . 10.0 110.782 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.89 133.04 54.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -115.66 112.83 22.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.64 108.13 13.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.821 0.343 . . . . 10.0 110.189 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.51 124.28 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.126 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.4 OUTLIER -116.36 162.32 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.696 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.0 t -140.73 29.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.658 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -73.1 77.92 0.82 Allowed Glycine 0 C--O 1.218 -0.848 0 CA-C-N 115.913 -0.585 . . . . 10.0 113.887 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.3 OUTLIER -54.56 -25.0 23.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -134.62 111.55 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 96.4 mttt 62.44 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.6 77.69 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -128.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.552 0.741 . . . . 10.0 112.899 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.658 ' HB ' HD13 ' E' ' 31' ' ' ILE . 65.7 mt -121.27 117.46 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.448 0.642 . . . . 10.0 112.167 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.461 HG22 HG12 ' E' ' 32' ' ' ILE . 16.4 pt -124.64 140.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.97 120.53 2.81 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.985 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.94 115.32 28.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.528 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 17.5 mmt -116.16 109.23 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 10.0 110.995 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.32 109.75 29.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.942 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.92 115.15 3.19 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.366 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.66 118.26 3.15 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.958 -0.639 . . . . 10.0 111.688 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 t -115.71 119.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.68 0.276 . . . . 10.0 110.337 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.383 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.146 0.498 . . . . 10.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.402 HG12 ' HD2' ' E' ' 14' ' ' HIS . 14.0 t -114.01 117.92 56.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.474 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -113.57 122.35 46.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.714 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.402 ' HD2' HG12 ' E' ' 12' ' ' VAL . 5.0 m-70 -123.07 105.63 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.947 0.403 . . . . 10.0 110.591 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -115.9 120.14 38.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.626 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 91.0 mttt -127.88 124.32 37.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.03 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.85 113.99 19.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.256 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 19.3 t -123.55 126.02 72.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.665 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.528 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.96 115.43 29.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.63 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.68 102.31 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.994 0.426 . . . . 10.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -111.69 117.81 33.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.42 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -111.74 166.81 10.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.948 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -132.51 2.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.483 . . . . 10.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' F' ' 25' ' ' GLY . . . -54.42 109.61 1.27 Allowed Glycine 0 C--O 1.215 -1.042 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.001 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.548 ' HA ' ' HA2' ' D' ' 25' ' ' GLY . 1.2 m -96.71 -10.64 26.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -139.38 110.17 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 10.0 111.832 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 32.9 tttt 61.24 94.07 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -21.37 72.32 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.92 -0.872 . . . . 10.0 110.92 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.73 -104.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.869 1.062 . . . . 10.0 113.869 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.658 HD13 ' HB ' ' D' ' 31' ' ' ILE . 9.9 mm -137.27 117.04 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.333 . . . . 10.0 111.569 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.461 HG12 HG22 ' D' ' 32' ' ' ILE . 5.4 pt -127.6 139.37 52.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.15 123.88 3.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.29 -0.957 . . . . 10.0 113.519 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 80.8 mt -116.46 112.77 21.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.437 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -116.71 111.5 19.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.061 0.458 . . . . 10.0 111.872 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.17 118.32 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.552 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 106.36 1.04 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.193 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.94 117.6 3.98 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.761 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.48 122.15 67.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.896 0.379 . . . . 10.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.78 128.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 10.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -122.57 123.44 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -119.95 107.01 12.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.466 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -119.47 112.56 19.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.0 0.429 . . . . 10.0 109.982 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.626 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 48.0 mtmt -125.51 114.1 18.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 10.0 111.782 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.41 129.74 55.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.711 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.543 HG13 HG13 ' G' ' 18' ' ' VAL . 9.6 p -140.22 123.09 16.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.294 0.569 . . . . 10.0 111.351 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -116.9 135.95 53.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.483 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -114.71 110.47 19.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.89 117.99 30.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -131.7 122.71 26.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.017 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.29 173.24 7.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' G' ' 25' ' ' GLY . 2.6 t -137.41 10.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.754 0.312 . . . . 10.0 110.414 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -61.51 89.73 0.05 OUTLIER Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.439 -0.41 . . . . 10.0 112.793 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.421 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.0 OUTLIER -68.42 -15.24 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -137.46 122.01 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 20.2 tptm 62.43 89.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.22 71.21 Favored Glycine 0 N--CA 1.459 0.228 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.548 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.29 -119.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 123.585 0.754 . . . . 10.0 112.786 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 56.7 mt -134.2 107.31 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 10.0 111.752 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.566 HG22 HG12 ' G' ' 32' ' ' ILE . 47.1 pt -121.35 138.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.495 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 134.7 7.22 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.828 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -124.09 110.84 15.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 1.9 mpt? -110.04 116.31 31.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.138 0.494 . . . . 10.0 110.976 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -112.13 113.6 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.773 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.5 3.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.029 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.3 110.95 1.41 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.85 -0.69 . . . . 10.0 112.22 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -114.37 121.44 66.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.687 0.28 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -110.45 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -113.58 120.37 40.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -125.81 109.36 12.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.467 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -122.55 122.41 38.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.628 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 44.2 mtmt -128.13 123.74 35.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.097 0.475 . . . . 10.0 111.646 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.71 119.83 36.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.996 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.543 HG13 HG13 ' F' ' 18' ' ' VAL . 9.4 t -127.3 123.66 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.525 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.0 131.06 53.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.01 115.03 28.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.407 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.67 104.75 8.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -129.07 122.9 30.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.23 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -131.39 154.72 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.33 66.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.707 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' H' ' 26' ' ' SER . . . -69.21 174.64 33.74 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.081 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.7 -47.34 0.08 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -137.39 114.88 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.222 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 82.7 mttt 69.6 106.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.941 0.775 . . . . 10.0 113.075 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.38 -8.57 86.1 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.419 -1.073 . . . . 10.0 110.419 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 71.13 -142.52 0.06 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.478 0.711 . . . . 10.0 111.926 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.839 ' HB ' HG12 ' H' ' 31' ' ' ILE . 70.0 mt -122.07 103.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 10.0 111.52 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.593 HG22 HG12 ' H' ' 32' ' ' ILE . 41.1 pt -118.46 136.22 56.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.504 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.18 129.79 6.42 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.402 -0.904 . . . . 10.0 112.934 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.466 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 7.1 mp -106.26 124.42 49.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.509 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 21.5 mmt -120.54 109.43 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.528 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 15.2 t -108.96 108.88 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.726 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -113.05 104.88 1.6 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.711 -0.756 . . . . 10.0 112.693 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.42 121.58 5.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.951 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.31 123.43 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 92.0 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.527 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.72 116.95 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.696 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -111.89 106.91 15.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -111.54 116.44 30.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -138.79 130.02 26.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.908 0.385 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 9.5 ptmt -137.32 139.58 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.877 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 118.36 23.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.817 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 59.2 t -128.32 123.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.631 -0.259 . . . . 10.0 110.324 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.18 141.49 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 10.0 110.94 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.79 118.41 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.089 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.15 103.21 8.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.602 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.04 137.89 54.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.584 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.23 -172.84 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.179 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.13 54.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.163 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.94 76.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.45 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . 0.435 ' HA ' ' HA2' ' G' ' 25' ' ' GLY . 16.3 m -62.79 -31.89 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -123.18 104.12 8.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.658 0.266 . . . . 10.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.614 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 37.3 ttpt 64.18 98.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.43 -0.804 . . . . 10.0 112.129 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.36 4.42 41.71 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.72 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.39 -172.59 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.149 0.579 . . . . 10.0 112.441 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.839 HG12 ' HB ' ' G' ' 31' ' ' ILE . 74.2 mt -105.89 105.01 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . 0.593 HG12 HG22 ' G' ' 32' ' ' ILE . 46.7 pt -126.79 158.3 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.115 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.36 110.41 0.8 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.447 -0.882 . . . . 10.0 113.257 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.21 99.92 12.3 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 9.8 ptp -114.95 131.31 56.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.205 0.526 . . . . 10.0 112.153 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.92 140.6 47.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.88 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.63 132.98 6.41 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 10.0 112.2 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.86 116.22 1.11 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.397 -0.681 . . . . 10.0 111.397 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.92 122.65 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 2.3 m . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.297 -0.858 . . . . 10.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -94.17 113.06 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.594 ' HE1' HG11 ' J' ' 40' ' ' VAL . 36.6 t60 -114.72 103.67 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.165 0.507 . . . . 10.0 112.044 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.89 97.57 6.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.464 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -131.39 120.02 22.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.927 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HE2' ' J' ' 16' ' ' LYS . 16.8 ptpt -141.43 137.64 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 10.0 111.558 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.21 126.04 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -123.57 115.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.35 111.03 20.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -87.59 110.61 20.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.788 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.04 99.63 8.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.833 0.349 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.835 ' HB3' ' HA ' ' J' ' 22' ' ' GLU . 9.3 tp10 -87.0 143.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -147.8 134.4 19.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.749 0.309 . . . . 10.0 111.22 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.783 ' CG2' ' HA ' ' J' ' 24' ' ' VAL . 18.1 m -134.42 32.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.515 0.674 . . . . 10.0 110.147 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' J' ' 26' ' ' SER . . . -72.43 108.42 2.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.225 -0.898 . . . . 10.0 112.075 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -67.96 -39.49 83.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.577 0.227 . . . . 10.0 110.969 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -151.52 138.37 18.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 74.3 mttt 63.34 86.08 0.12 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-N 114.197 -1.365 . . . . 10.0 113.86 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.61 -26.2 73.55 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.42 -149.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.4 mt -84.58 138.31 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -144.66 136.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.439 -0.801 . . . . 10.0 109.872 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -128.5 111.68 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.51 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -114.47 100.3 8.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.651 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.2 mpt? -106.82 118.29 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 10.0 111.623 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 t -114.12 119.62 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.784 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.64 84.59 0.35 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.808 -0.71 . . . . 10.0 111.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.96 73.85 0.71 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.217 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.559 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.6 t -75.87 96.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.501 . . . . 10.0 110.406 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' J' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.73 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.93 113.68 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.438 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.466 ' CE1' HG11 ' K' ' 40' ' ' VAL . 52.0 t60 -113.17 116.85 30.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.688 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.82 109.1 13.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -128.6 121.24 28.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.96 0.41 . . . . 10.0 110.928 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.51 ' HE2' ' HD2' ' I' ' 16' ' ' LYS . 95.4 mttt -125.53 123.64 39.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.47 109.98 18.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 t -121.51 117.09 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.933 0.397 . . . . 10.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -118.46 132.63 56.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.33 117.75 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.899 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.61 105.44 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.842 0.354 . . . . 10.0 110.294 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' I' ' 22' ' ' GLU . 13.3 tt0 -102.49 117.76 35.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.612 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.541 ' OD1' ' HA ' ' I' ' 23' ' ' ASP . 0.0 OUTLIER -107.69 144.27 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.581 0.551 . . . . 10.0 110.989 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.783 ' HA ' ' CG2' ' I' ' 24' ' ' VAL . 17.5 t -125.85 18.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 10.0 110.186 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.623 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 80.31 0.11 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.774 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.534 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 1.7 m -68.25 -22.25 64.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -140.98 114.66 8.92 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.347 -0.221 . . . . 10.0 111.079 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 23.4 mmtp 63.64 95.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.97 -18.19 77.54 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.671 -0.972 . . . . 10.0 110.671 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.74 -86.6 0.03 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.863 0.865 . . . . 10.0 112.947 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.3 tt -165.6 104.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.898 0.856 . . . . 10.0 112.198 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.66 HG22 HG12 ' K' ' 32' ' ' ILE . 46.8 pt -113.38 138.68 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.469 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.04 130.8 5.88 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.383 -0.913 . . . . 10.0 113.212 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 5.8 mp -129.04 118.88 23.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.651 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.2 mpt? -123.71 115.54 21.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.964 0.411 . . . . 10.0 111.2 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 p -113.78 114.58 47.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.29 0.567 . . . . 10.0 110.803 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 122.73 5.65 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.71 106.66 0.81 Allowed Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.439 -0.664 . . . . 10.0 111.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -101.92 104.29 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.594 HG11 ' HE1' ' I' ' 13' ' ' HIS . 59.1 t . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.748 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' L' ' 11' ' ' GLU . 11.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.75 0.309 . . . . 10.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.07 113.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.026 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -111.73 115.46 29.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -121.04 102.13 8.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.545 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -117.52 123.84 47.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.927 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -127.15 126.54 43.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.198 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -120.32 111.73 18.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.577 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.15 116.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 10.0 110.624 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -120.76 129.84 53.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.076 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -109.05 117.98 35.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.33 103.79 7.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.021 0.438 . . . . 10.0 110.066 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.84 120.12 40.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.997 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.73 154.94 24.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' L' ' 26' ' ' SER . 4.3 t -134.59 25.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.702 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . 0.652 ' HA2' ' O ' ' L' ' 25' ' ' GLY . . . -69.99 75.74 0.46 Allowed Glycine 0 C--O 1.223 -0.571 0 CA-C-N 115.91 -0.586 . . . . 10.0 113.46 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 26' ' ' SER . . . . . 0.701 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 10.0 m -56.18 -32.06 64.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -126.49 107.73 10.52 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.484 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 89.6 mttt 64.49 100.27 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.73 -23.12 78.43 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -119.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 12.9 mt -128.14 104.73 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.66 HG12 HG22 ' J' ' 32' ' ' ILE . 11.9 pt -116.18 140.15 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 121.019 -0.272 . . . . 10.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.38 122.48 3.12 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.343 -0.932 . . . . 10.0 113.022 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.453 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.2 mp -119.25 111.48 18.27 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.86 123.21 48.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.268 0.556 . . . . 10.0 111.601 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 5.9 t -114.55 123.85 70.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.328 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.04 105.77 0.82 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.006 -0.616 . . . . 10.0 112.211 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.37 113.92 2.93 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.949 -0.643 . . . . 10.0 111.66 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 t -112.78 117.56 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 10.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.466 HG11 ' CE1' ' J' ' 13' ' ' HIS . 24.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' K' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.708 0.29 . . . . 10.0 110.987 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.53 107.19 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -110.18 117.52 33.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.935 0.397 . . . . 10.0 111.502 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . 0.454 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 7.9 m-70 -120.98 106.63 11.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.039 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -120.34 120.47 36.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.364 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -126.48 122.61 35.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 10.0 111.183 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.56 114.35 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.363 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 3.1 t -126.02 119.39 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.876 0.369 . . . . 10.0 110.942 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -121.9 130.89 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.709 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.95 112.03 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.757 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.58 111.75 18.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 10.0 110.066 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.0 121.9 44.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.043 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' L' ' 25' ' ' GLY . 0.6 OUTLIER -114.91 161.96 17.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.857 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.1 t -139.75 30.37 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . 0.652 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -73.65 79.41 0.83 Allowed Glycine 0 C--O 1.22 -0.747 0 CA-C-N 115.959 -0.564 . . . . 10.0 113.974 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 26' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.7 OUTLIER -53.11 -31.25 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -132.84 116.55 16.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 83.5 mttt 62.27 96.75 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -24.72 76.69 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.52 -122.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.555 0.946 . . . . 10.0 113.555 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 38.5 mt -126.75 115.09 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.369 0.604 . . . . 10.0 112.228 -177.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.492 HG22 HG12 ' M' ' 32' ' ' ILE . 22.5 pt -123.17 138.58 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.995 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.12 123.7 4.51 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.83 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.0 115.63 24.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.19 108.63 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.17 0.509 . . . . 10.0 111.325 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 t -106.74 108.31 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.821 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.528 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.09 113.81 3.15 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.585 -0.817 . . . . 10.0 112.368 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.15 120.44 4.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.046 -0.597 . . . . 10.0 111.743 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -119.42 124.65 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.069 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.083 0.468 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -111.88 113.83 45.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.478 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -111.48 118.93 37.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.589 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -119.49 104.37 10.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.78 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -113.43 118.88 35.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . 0.435 ' HD2' ' HE2' ' N' ' 16' ' ' LYS . 88.1 mttt -128.95 117.46 21.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.549 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.89 118.42 31.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.327 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 41.2 t -127.03 124.15 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.637 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . 0.433 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 7.6 m-85 -119.79 130.46 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.992 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -108.24 116.66 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.149 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.6 100.12 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 10.0 110.127 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.09 119.38 39.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.736 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.73 164.65 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.852 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' N' ' 24' ' ' VAL . 3.5 t -131.7 5.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.029 0.442 . . . . 10.0 110.333 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -53.63 106.82 0.5 Allowed Glycine 0 C--O 1.213 -1.164 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.504 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 26' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 0.9 OUTLIER -87.58 -22.1 24.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.82 120.3 17.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' N' ' 28' ' ' LYS . 0.5 OUTLIER 61.82 90.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.188 -0.915 . . . . 10.0 113.204 178.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.6 -24.06 72.4 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 111.142 -0.783 . . . . 10.0 111.142 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.793 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 76.62 -115.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 3.7 mp -133.56 119.06 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 10.0 112.003 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.492 HG12 HG22 ' L' ' 32' ' ' ILE . 7.4 pt -127.01 144.0 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.883 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.14 125.02 3.73 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -117.59 108.56 15.62 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.36 113.88 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.442 . . . . 10.0 111.923 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 t -111.0 118.99 58.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.0 106.97 1.12 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.72 -0.752 . . . . 10.0 112.276 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.2 116.09 3.62 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.91 -0.662 . . . . 10.0 111.735 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.65 119.32 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.194 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.578 0.227 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.81 124.82 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.304 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . 0.453 ' CE1' HG21 ' O' ' 40' ' ' VAL . 60.3 t60 -124.88 120.25 31.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.62 109.77 16.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -120.75 113.63 20.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . 0.435 ' HE2' ' HD2' ' M' ' 16' ' ' LYS . 39.6 mttt -127.09 120.75 29.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 10.0 111.991 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.25 125.29 50.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.747 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -131.01 122.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.438 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . 0.449 ' HZ ' HG21 ' P' ' 36' ' ' VAL . 8.7 m-85 -119.85 130.02 54.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.1 112.57 24.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.099 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.46 110.91 16.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -127.64 123.64 36.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.416 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.45 172.62 7.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.3 t -136.89 10.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 10.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . 0.433 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -61.01 90.59 0.05 OUTLIER Glycine 0 C--O 1.22 -0.75 0 C-N-CA 121.31 -0.472 . . . . 10.0 112.839 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 26' ' ' SER . . . . . 0.476 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 1.0 OUTLIER -71.51 -4.16 25.18 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -146.63 118.45 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.991 -0.443 . . . . 10.0 111.981 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.793 ' HD2' ' HB2' ' M' ' 30' ' ' ALA . 7.6 tptp 62.8 91.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.32 -19.79 72.76 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.621 -0.8 . . . . 10.0 111.388 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.23 -113.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' O' ' 31' ' ' ILE . 52.2 mt -140.19 107.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 10.0 111.485 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -123.55 136.52 59.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.703 0.287 . . . . 10.0 110.6 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 135.85 8.3 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 10.0 112.775 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.2 mp -124.05 110.71 15.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -109.97 115.68 30.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 10.0 110.958 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -111.45 113.63 44.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.985 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.61 114.77 3.44 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.013 -0.613 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.41 110.01 1.35 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.193 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.54 123.26 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.014 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.797 0.332 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.41 101.75 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -104.42 122.55 45.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.297 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -128.33 111.27 13.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.054 0.454 . . . . 10.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -121.43 119.04 30.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.373 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -124.48 118.77 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.524 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.92 119.54 35.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.132 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 13.9 t -129.41 125.22 61.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -123.54 132.17 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.954 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -111.15 114.72 28.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.488 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.17 105.97 9.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -130.66 125.75 34.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.342 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -136.22 138.57 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' P' ' 24' ' ' VAL . 0.0 OUTLIER -92.97 63.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.925 0.393 . . . . 10.0 111.499 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' N' ' 24' ' ' VAL . . . -65.1 174.38 16.3 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.032 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -150.65 -44.62 0.12 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.239 0.542 . . . . 10.0 109.959 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.097 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 81.6 mttt 68.7 101.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.141 0.793 . . . . 10.0 113.141 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.77 -9.83 86.36 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 70.77 -140.89 0.06 Allowed 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 123.317 0.647 . . . . 10.0 112.096 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.705 HG12 ' HB ' ' N' ' 31' ' ' ILE . 79.0 mt -120.58 107.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.484 0.659 . . . . 10.0 111.863 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . 0.653 HG23 HG23 ' P' ' 32' ' ' ILE . 22.4 mt -116.39 133.31 63.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.252 -0.886 . . . . 10.0 109.629 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.43 119.49 3.08 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.494 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.486 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -101.92 122.27 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.47 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.6 mmt -119.59 107.42 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.669 0.271 . . . . 10.0 110.701 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.433 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 12.1 t -106.91 108.4 25.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . 0.509 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -110.5 102.26 1.49 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.508 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.66 117.29 3.91 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.087 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 12.7 t -122.15 121.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.4 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.593 0.235 . . . . 10.0 111.216 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.348 -0.242 . . . . 10.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.1 138.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.089 0.471 . . . . 10.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -127.49 104.01 7.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.66 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -107.73 98.49 8.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.52 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -111.3 130.56 55.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.826 0.346 . . . . 10.0 110.557 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -129.86 127.93 41.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.922 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 tp -132.84 121.43 22.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.125 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . 0.547 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.9 p -141.85 136.87 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.063 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -136.34 141.71 43.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.778 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -116.07 120.94 40.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.79 110.32 10.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.987 0.422 . . . . 10.0 111.147 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -126.92 148.77 50.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.68 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.7 -174.31 4.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . 0.571 ' HA ' HG23 ' O' ' 24' ' ' VAL . 3.1 m -139.47 47.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.942 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . 0.426 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -78.96 70.88 2.68 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.784 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -39.35 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 10.0 110.972 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -126.9 109.43 11.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.064 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . 0.548 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 9.6 ttmt 65.83 99.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.986 0.803 . . . . 10.0 112.597 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.52 0.19 61.18 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.294 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.75 -171.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.349 0.66 . . . . 10.0 112.657 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.499 HD12 ' HB ' ' O' ' 31' ' ' ILE . 13.9 mm -92.17 111.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . 0.653 HG23 HG23 ' O' ' 32' ' ' ILE . 5.7 tt -134.37 137.32 51.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.022 0.439 . . . . 10.0 110.917 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.99 130.16 7.04 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.506 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.42 102.56 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -98.45 118.82 35.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.898 0.38 . . . . 10.0 111.863 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . 0.449 HG21 ' HZ ' ' N' ' 19' ' ' PHE . 25.8 t -117.2 130.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . 0.502 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -135.0 128.05 4.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.123 -1.037 . . . . 10.0 112.824 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.13 114.51 0.81 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.252 -0.739 . . . . 10.0 111.252 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 30.8 t -125.31 121.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.772 0.286 . . . . 10.0 110.48 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 19.2 t -97.91 99.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -107.71 112.64 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.699 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -121.16 106.67 11.75 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.15 128.02 47.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.234 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB2' ' HD3' ' B' ' 16' ' ' LYS . 83.7 mttt -135.8 129.01 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.924 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.599 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -133.38 128.9 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.621 0.724 . . . . 10.0 112.108 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.38 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.407 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -87.9 100.12 12.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.766 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.8 102.26 11.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.725 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.33 117.51 31.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.3 143.94 44.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.034 0.445 . . . . 10.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 23' ' ' ASP . 2.9 t -124.02 32.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.663 0.744 . . . . 10.0 109.072 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.657 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -73.38 88.11 0.6 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.7 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -20.63 55.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.95 109.14 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.668 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 91.6 mttt 63.02 96.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.23 -23.61 77.89 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.68 -127.39 0.06 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' HB ' HG12 ' B' ' 31' ' ' ILE . 28.3 mm -109.86 135.91 47.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.019 0.438 . . . . 10.0 111.557 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.12 141.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.856 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -137.16 119.45 1.91 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.446 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.4 mt -116.27 101.36 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.443 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.6 mpt? -106.45 101.42 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.941 0.401 . . . . 10.0 111.829 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.37 112.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.755 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.29 90.71 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.036 -0.602 . . . . 10.0 112.486 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.42 83.3 0.58 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.009 -0.615 . . . . 10.0 111.605 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG21 ' HA3' ' I' ' 33' ' ' GLY . 25.7 t -82.76 109.33 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.892 0.377 . . . . 10.0 110.641 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.7 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.425 0.155 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 18.7 t -113.84 118.14 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 10.0 110.802 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -120.57 118.9 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.566 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -124.28 108.4 12.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.745 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -120.62 123.01 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.384 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 16' ' ' LYS . 3.8 tppp? -125.2 120.18 30.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.248 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.599 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -114.1 108.39 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.816 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' C' ' 18' ' ' VAL . 2.3 m -119.25 111.22 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 10.0 110.878 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -115.28 127.07 55.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -111.07 110.46 21.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.24 107.99 14.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.923 0.392 . . . . 10.0 110.376 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.75 120.03 40.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.75 148.35 31.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.656 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.5 t -129.06 26.44 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 10.0 109.538 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.657 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -68.25 78.02 0.23 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.879 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -64.29 -25.84 68.23 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.437 0.295 . . . . 10.0 111.747 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -136.55 108.86 7.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.69 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.722 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 79.0 mttt 63.96 103.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 114.319 1.229 . . . . 10.0 114.319 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.07 -19.28 79.95 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 111.071 -0.812 . . . . 10.0 111.071 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.59 -107.02 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.739 0.815 . . . . 10.0 112.939 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 96.6 mt -140.28 105.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.348 0.594 . . . . 10.0 111.363 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.677 HG22 HG12 ' C' ' 32' ' ' ILE . 41.2 pt -120.16 136.66 56.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.299 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.679 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -138.31 135.99 7.81 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.152 -1.023 . . . . 10.0 113.401 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.0 mp -127.47 122.18 32.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.443 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.6 mpt? -117.96 115.48 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 10.0 111.116 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.85 106.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.58 110.85 2.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.772 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.32 116.27 2.63 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.541 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -116.35 112.67 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.645 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.63 0.252 . . . . 10.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 t -121.76 116.63 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.047 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -117.59 121.51 41.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -121.69 111.1 16.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.107 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -123.76 119.63 30.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 10.0 110.743 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -124.99 124.08 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.361 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.452 HD13 ' HG ' ' B' ' 17' ' ' LEU . 5.4 mp -114.19 108.44 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.706 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.476 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.7 t -114.79 113.14 42.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -123.7 126.63 46.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 10.0 111.419 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -112.9 125.39 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.584 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.47 100.69 5.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -102.5 111.16 23.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.224 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -104.29 154.22 20.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.742 0.651 . . . . 10.0 109.577 179.516 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.8 t -133.47 27.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.315 0.579 . . . . 10.0 109.48 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.628 ' HA2' ' O ' ' D' ' 25' ' ' GLY . . . -69.07 75.55 0.33 Allowed Glycine 0 C--O 1.225 -0.438 0 CA-C-N 115.635 -0.711 . . . . 10.0 113.846 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.677 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 29.1 m -56.51 -34.08 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -124.5 106.19 9.98 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.722 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mttt 65.01 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.374 1.25 . . . . 10.0 114.374 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.07 -17.73 74.02 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.365 -1.094 . . . . 10.0 110.365 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.77 -117.57 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' B' ' 31' ' ' ILE . 36.8 mt -132.35 107.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 10.0 111.852 -178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.677 HG12 HG22 ' B' ' 32' ' ' ILE . 12.0 pt -117.5 139.94 42.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.375 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.32 124.92 3.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -119.54 107.55 13.43 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -111.5 118.87 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.313 0.577 . . . . 10.0 111.628 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 t -112.68 129.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.453 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.76 103.78 0.6 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.018 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.06 110.82 2.59 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.962 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.45 112.28 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.516 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 7.0 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.773 0.321 . . . . 10.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.01 116.7 50.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.431 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -117.67 123.21 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.542 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -122.56 102.56 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.16 121.49 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.171 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' HE2' ' E' ' 16' ' ' LYS . 63.2 mttp -127.84 120.79 28.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.118 0.485 . . . . 10.0 111.789 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' E' ' 17' ' ' LEU . 4.0 mm? -108.55 120.43 42.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.324 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 0.2 OUTLIER -128.51 111.55 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.367 . . . . 10.0 110.658 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -122.43 127.19 49.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.89 116.64 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.26 114.74 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 10.0 110.403 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -112.27 121.94 46.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.3 OUTLIER -116.25 158.49 23.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.522 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.9 t -139.3 23.01 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.628 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -69.97 81.47 0.34 Allowed Glycine 0 C--O 1.221 -0.708 0 CA-C-N 115.985 -0.552 . . . . 10.0 113.516 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 14.6 m -59.44 -23.18 62.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -134.0 108.0 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.776 0.287 . . . . 10.0 111.776 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' E' ' 28' ' ' LYS . 91.2 mttt 66.93 104.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 114.135 1.161 . . . . 10.0 114.135 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -17.07 80.28 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.138 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -132.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 46.6 mt -123.7 105.64 15.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 10.0 111.818 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.545 ' HB ' HG12 ' E' ' 32' ' ' ILE . 28.5 pt -118.15 141.3 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.646 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 131.11 6.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.422 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.23 119.32 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.537 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.3 mmt -117.56 110.53 18.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.545 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 t -109.77 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.33 116.94 4.36 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.56 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.19 119.08 3.31 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.637 -0.585 . . . . 10.0 111.637 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -117.2 120.68 65.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.981 0.419 . . . . 10.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.239 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.78 111.79 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.772 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -116.15 120.76 40.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.844 0.354 . . . . 10.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.91 114.89 24.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.337 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.57 116.5 23.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 10.0 110.211 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.42 ' HE2' ' HD2' ' D' ' 16' ' ' LYS . 95.0 mttt -124.78 128.22 48.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.183 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.569 ' HB2' HD13 ' D' ' 17' ' ' LEU . 5.0 mp -126.35 107.8 10.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.014 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 11.5 t -114.24 119.39 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.681 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.428 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 12.9 m-85 -120.27 129.73 54.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.309 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -111.43 117.68 33.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.535 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.13 101.26 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -110.46 123.44 49.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.933 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.33 161.76 25.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.788 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' F' ' 26' ' ' SER . 1.9 t -136.18 28.64 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.845 0.355 . . . . 10.0 110.23 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.58 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -69.73 79.46 0.35 Allowed Glycine 0 C--O 1.222 -0.655 0 CA-C-N 116.335 -0.393 . . . . 10.0 113.024 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.594 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.4 m -53.7 -27.99 31.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.078 0.769 . . . . 10.0 113.078 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -129.08 106.69 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.936 -0.306 . . . . 10.0 111.173 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 80.5 mttt 68.55 100.62 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.179 1.177 . . . . 10.0 114.179 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.26 -24.05 74.84 Favored Glycine 0 CA--C 1.518 0.22 0 N-CA-C 110.172 -1.171 . . . . 10.0 110.172 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.48 -143.34 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 11.4 mm -102.1 114.92 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 10.0 111.921 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.545 HG12 ' HB ' ' D' ' 32' ' ' ILE . 1.2 pt -125.9 141.91 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.49 118.65 1.82 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.406 -0.902 . . . . 10.0 112.931 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -111.06 111.59 22.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.513 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -114.44 111.91 22.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.025 0.441 . . . . 10.0 111.844 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -108.1 124.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.81 103.47 0.58 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 10.0 112.217 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.26 116.55 3.85 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.003 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.443 HG21 ' HA3' ' M' ' 33' ' ' GLY . 27.3 t -118.68 115.88 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.756 0.313 . . . . 10.0 110.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.404 HG12 ' CG1' ' F' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.906 0.384 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.41 117.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.516 0.674 . . . . 10.0 110.672 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -119.86 123.26 43.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.722 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.04 113.36 19.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.495 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -119.33 112.44 19.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.917 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -120.29 114.92 22.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.55 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.35 126.33 55.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.681 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.96 119.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.457 0.646 . . . . 10.0 111.498 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.507 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 8.0 m-85 -120.16 132.96 55.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.757 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -116.61 108.25 15.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.81 110.17 19.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -125.86 121.72 34.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -118.44 163.64 16.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 2.1 t -128.65 9.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.995 0.426 . . . . 10.0 110.653 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -56.6 108.98 1.36 Allowed Glycine 0 C--O 1.215 -1.061 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.846 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 0.7 OUTLIER -82.82 -11.23 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.08 0.77 . . . . 10.0 113.08 -177.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -141.22 119.27 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.528 0.566 . . . . 10.0 112.528 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.733 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 15.4 tptm 59.54 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.75 -10.32 71.65 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.48 -108.31 0.11 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 24.7 mt -140.65 108.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.956 0.408 . . . . 10.0 111.259 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.652 HG22 ' HB ' ' G' ' 32' ' ' ILE . 12.7 pt -125.69 134.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.025 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.72 136.47 8.67 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.693 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -126.48 109.86 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 2.0 mpt? -108.98 121.77 45.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.978 0.418 . . . . 10.0 111.072 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.88 113.11 41.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.12 113.63 3.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.985 -0.626 . . . . 10.0 111.989 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.14 113.62 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.124 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.84 125.29 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 5.2 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.679 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.958 0.409 . . . . 10.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -116.89 95.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -111.21 124.81 52.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.874 0.369 . . . . 10.0 111.264 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -125.76 104.67 8.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.956 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -112.24 131.87 55.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.373 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -133.76 127.63 33.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.957 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.96 110.55 17.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.001 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -115.13 111.67 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.619 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -122.53 124.43 43.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.778 0.323 . . . . 10.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -116.08 125.2 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 105.71 6.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.524 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -124.98 119.91 30.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.23 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -126.68 132.7 51.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.4 t -87.67 61.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.17 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -65.26 172.06 22.85 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.325 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 7.4 m -148.63 -55.3 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.421 . . . . 10.0 109.885 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -125.96 111.86 15.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.733 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 45.5 mtmt 64.34 107.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.83 -15.33 78.14 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.81 -0.916 . . . . 10.0 110.81 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 75.36 -129.68 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 113.145 0.795 . . . . 10.0 113.145 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 54.3 mt -121.64 108.88 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.207 0.527 . . . . 10.0 111.544 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.652 ' HB ' HG22 ' F' ' 32' ' ' ILE . 56.1 mt -122.18 127.71 75.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.105 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.22 124.01 4.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.453 -0.879 . . . . 10.0 112.889 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.451 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 6.6 mp -108.13 125.45 51.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.532 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 17.5 mmt -122.88 104.78 9.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.931 0.396 . . . . 10.0 110.981 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.428 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 20.7 t -102.25 112.97 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -117.24 109.69 1.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.349 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.47 119.82 4.1 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.009 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 37.8 t -123.48 118.84 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 61.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.99 123.86 66.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.644 0.259 . . . . 10.0 110.701 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -128.51 119.96 25.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 10.0 110.841 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.25 111.35 18.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.805 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -126.58 125.68 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.373 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -134.89 134.02 40.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 10.0 111.977 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.82 127.48 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.018 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -129.2 111.11 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.146 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.09 126.2 45.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -120.91 113.38 20.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.6 120.38 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.707 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.69 147.74 52.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.132 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -155.59 172.51 18.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.731 -0.213 . . . . 10.0 110.511 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.446 HG13 ' HB ' ' G' ' 24' ' ' VAL . 2.4 t -129.23 75.19 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.032 0.444 . . . . 10.0 109.983 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.492 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -86.61 78.59 1.9 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.0 -0.546 . . . . 10.0 112.094 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.102 0.477 . . . . 10.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -130.14 104.97 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.465 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.843 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 26.9 ttpt 68.54 111.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.862 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.99 8.27 67.37 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.003 -0.618 . . . . 10.0 111.768 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.3 -158.7 0.32 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.13 0.572 . . . . 10.0 112.124 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 46.0 mt -105.68 107.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.167 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.11 141.79 42.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.23 129.99 6.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.895 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 49.0 tp -112.67 101.46 9.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.2 mpt? -106.99 135.28 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.923 0.392 . . . . 10.0 111.144 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.507 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 5.5 p -135.94 131.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.779 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.44 115.61 1.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.555 -0.831 . . . . 10.0 112.672 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.69 112.69 1.81 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.835 -0.698 . . . . 10.0 111.705 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 22.5 t -119.83 126.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.528 -0.748 . . . . 10.0 111.078 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' J' ' 12' ' ' VAL . 22.8 t -103.21 104.74 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -106.47 116.11 31.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.375 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.33 100.94 6.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -131.89 126.42 34.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.767 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' I' ' 16' ' ' LYS . 12.0 ptpt -140.63 134.01 29.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.155 0.502 . . . . 10.0 111.751 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.451 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.0 mp -119.88 117.03 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.452 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -121.72 121.89 65.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.951 0.405 . . . . 10.0 110.801 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -115.28 115.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.22 110.95 23.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.59 93.07 3.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.932 0.396 . . . . 10.0 111.36 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.13 112.18 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.98 140.34 46.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.415 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.792 HG22 ' HA ' ' J' ' 24' ' ' VAL . 27.3 m -122.38 33.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.607 0.718 . . . . 10.0 110.516 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -71.82 95.41 0.63 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.007 -0.997 . . . . 10.0 111.661 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -32.24 73.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.21 134.94 19.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 68.9 mttm 61.95 82.76 0.16 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.536 -1.211 . . . . 10.0 113.262 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.13 -26.37 73.38 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.91 -138.27 0.07 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 13.1 mm -97.83 137.51 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 10.0 112.21 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -148.11 141.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.498 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -138.77 120.3 1.91 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.435 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.74 107.61 13.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.534 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.4 mpt? -113.17 111.92 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 10.0 111.932 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.83 116.52 52.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.079 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.97 88.04 0.43 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.094 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 80.26 0.48 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.038 -0.601 . . . . 10.0 111.682 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.911 ' HB ' HG12 ' J' ' 39' ' ' VAL . 28.6 t -85.76 104.89 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.188 0.518 . . . . 10.0 110.462 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.591 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' K' ' 11' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.851 0.357 . . . . 10.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' I' ' 12' ' ' VAL . 27.1 t -114.27 117.2 54.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.638 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -117.11 117.66 30.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -122.1 106.43 11.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.224 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -120.11 123.41 43.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.73 123.44 35.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.375 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.51 ' HG ' HD13 ' K' ' 17' ' ' LEU . 5.6 mp -117.24 111.71 19.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.8 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 114.07 41.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.391 0.615 . . . . 10.0 111.284 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.51 122.61 45.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -106.31 114.59 28.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.891 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 109.02 13.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.819 0.342 . . . . 10.0 110.347 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -102.85 119.93 39.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.992 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.88 144.12 38.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.591 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.792 ' HA ' HG22 ' I' ' 24' ' ' VAL . 13.3 t -125.73 22.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.44 0.638 . . . . 10.0 109.663 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -70.09 67.58 0.67 Allowed Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.677 -0.692 . . . . 10.0 113.362 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.443 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 0.1 OUTLIER -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.047 0.758 . . . . 10.0 113.047 -179.294 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -130.57 110.14 11.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.054 -0.258 . . . . 10.0 111.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.696 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 11.4 mmmt 64.83 98.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.345 0.869 . . . . 10.0 113.345 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.51 -16.64 77.56 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.395 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.81 -95.01 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.612 0.765 . . . . 10.0 112.753 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 14.5 tt -160.52 106.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.811 0.815 . . . . 10.0 112.555 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.62 HG22 HG12 ' K' ' 32' ' ' ILE . 46.0 pt -116.86 142.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.419 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.81 131.51 5.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.347 -0.93 . . . . 10.0 113.1 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.4 mp -125.41 119.34 28.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.534 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.3 mpt? -122.48 109.66 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.01 0.433 . . . . 10.0 111.016 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.473 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.0 p -112.1 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.096 0.474 . . . . 10.0 110.52 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.55 125.04 6.52 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.973 -0.632 . . . . 10.0 111.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.51 115.64 1.4 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.866 -0.683 . . . . 10.0 111.539 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.911 HG12 ' HB ' ' I' ' 39' ' ' VAL . 3.9 m -114.56 119.13 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.112 0.482 . . . . 10.0 110.865 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.509 HG22 ' HB ' ' K' ' 40' ' ' VAL . 47.1 t . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.568 ' HB2' ' HG3' ' J' ' 11' ' ' GLU . 50.0 mt-10 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.92 0.391 . . . . 10.0 111.336 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.97 111.95 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.843 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -113.95 124.41 52.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.439 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -122.19 112.22 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.975 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -123.68 119.59 30.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.939 0.4 . . . . 10.0 110.655 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -123.83 125.38 44.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.51 HD13 ' HG ' ' J' ' 17' ' ' LEU . 5.5 mp -116.97 105.26 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.501 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 t -113.72 115.19 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.662 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.51 122.99 39.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.935 0.398 . . . . 10.0 111.329 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -108.75 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.107 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.5 104.93 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 10.0 110.19 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' L' ' 23' ' ' ASP . 34.0 tt0 -105.02 115.97 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.21 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -108.04 155.29 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.437 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . 0.755 ' O ' ' HA ' ' L' ' 26' ' ' SER . 7.4 t -134.12 25.92 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.152 0.501 . . . . 10.0 109.754 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . 0.643 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -68.8 74.34 0.33 Allowed Glycine 0 C--O 1.224 -0.507 0 CA-C-N 116.01 -0.541 . . . . 10.0 114.04 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 26' ' ' SER . . . . . 0.71 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 8.0 m -52.89 -37.48 60.58 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -123.68 113.41 18.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.206 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.696 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 88.5 mttt 61.48 98.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.81 -18.23 74.0 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.342 -1.103 . . . . 10.0 110.342 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.07 -120.13 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.329 0.862 . . . . 10.0 113.329 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 14.2 mt -130.28 105.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 10.0 111.837 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.62 HG12 HG22 ' J' ' 32' ' ' ILE . 8.9 pt -116.66 137.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.27 124.99 4.29 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 113.058 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.6 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -119.68 109.18 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -113.37 123.46 50.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 10.0 111.424 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -116.9 128.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.575 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.86 102.51 0.62 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.151 -0.547 . . . . 10.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.74 107.66 2.16 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.783 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 t -108.2 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.509 ' HB ' HG22 ' J' ' 40' ' ' VAL . 34.8 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.653 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 10.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 t -122.24 106.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' M' ' 40' ' ' VAL . 47.2 t60 -112.93 123.23 49.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.324 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -122.82 104.55 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.652 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -112.51 120.66 42.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -128.24 118.58 23.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.993 0.425 . . . . 10.0 111.862 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.7 mm? -107.95 118.23 36.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.362 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.09 110.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.023 0.439 . . . . 10.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.46 131.08 54.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.908 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.9 119.61 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.93 113.57 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -111.32 121.26 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.584 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -116.56 159.11 22.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 10.0 109.98 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.8 t -139.77 22.61 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . 0.627 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -70.45 78.92 0.44 Allowed Glycine 0 C--O 1.219 -0.785 0 CA-C-N 115.857 -0.61 . . . . 10.0 113.632 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 26' ' ' SER . . . . . 0.755 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 14.4 m -59.7 -23.99 63.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -129.06 105.77 8.42 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.311 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.9 mttt 65.48 103.49 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 114.343 1.238 . . . . 10.0 114.343 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.69 -18.15 78.53 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.83 -0.908 . . . . 10.0 110.83 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.21 -133.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.592 ' O ' ' HA ' ' M' ' 31' ' ' ILE . 47.3 mt -122.67 106.59 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.974 0.416 . . . . 10.0 111.868 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.415 ' HB ' HG12 ' M' ' 32' ' ' ILE . 35.4 pt -118.49 141.2 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.3 129.61 5.94 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.619 -0.801 . . . . 10.0 113.301 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -120.05 119.82 34.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -121.85 110.69 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.202 0.525 . . . . 10.0 111.05 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.08 106.29 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.215 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.537 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -111.43 116.83 4.32 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.364 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.03 120.12 3.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.081 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -119.99 124.56 72.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 9.2 p . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.605 0.241 . . . . 10.0 110.79 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 39.3 t -121.17 113.76 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.25 112.08 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.404 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -118.37 114.19 22.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.089 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -124.95 121.8 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.305 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.401 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -120.52 114.72 22.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.1 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.48 ' HB ' HG12 ' N' ' 18' ' ' VAL . 6.9 t -119.02 121.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.463 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.59 130.07 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.346 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -113.2 118.79 35.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.394 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.35 102.85 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 10.0 110.024 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -113.77 126.15 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.285 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.9 161.23 27.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' N' ' 26' ' ' SER . 1.8 t -132.89 29.18 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.813 0.339 . . . . 10.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.626 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -69.11 80.79 0.26 Allowed Glycine 0 C--O 1.223 -0.579 0 CA-C-N 116.281 -0.418 . . . . 10.0 113.396 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 26' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 2.3 m -54.77 -31.97 59.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -124.17 109.72 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.979 0.362 . . . . 10.0 111.979 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.59 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.8 tppt? 65.35 95.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.246 -0.888 . . . . 10.0 113.297 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -24.29 69.44 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.293 -0.723 . . . . 10.0 111.293 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' CD ' ' N' ' 28' ' ' LYS . . . 78.78 -143.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.6 mt -109.69 118.63 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 112.27 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.415 HG12 ' HB ' ' L' ' 32' ' ' ILE . 3.1 pt -126.28 145.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.918 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -134.43 121.03 2.57 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.86 108.68 17.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' N' ' 35' ' ' MET . 1.7 mpt? -113.7 113.61 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.005 0.431 . . . . 10.0 111.897 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.54 121.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.584 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 105.86 0.89 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.094 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.65 115.79 3.39 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.768 -0.73 . . . . 10.0 111.739 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.51 121.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.64 0.257 . . . . 10.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.586 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 1.6 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.3 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.654 0.264 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.2 118.09 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.942 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . 0.452 ' CE1' HG21 ' O' ' 40' ' ' VAL . 8.4 t60 -121.28 121.5 37.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -121.0 117.17 26.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.851 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -121.11 115.23 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.078 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -121.87 120.7 35.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.378 . . . . 10.0 111.366 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.64 121.57 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.358 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.48 HG12 ' HB ' ' M' ' 18' ' ' VAL . 2.0 m -128.7 119.11 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.107 0.48 . . . . 10.0 111.269 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -121.54 126.42 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -114.25 112.19 22.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.04 108.79 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -123.06 123.22 40.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.684 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -120.87 166.27 14.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.428 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.2 t -130.95 11.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.921 0.391 . . . . 10.0 110.395 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -58.87 102.85 0.31 Allowed Glycine 0 C--O 1.215 -1.052 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 26' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 0.8 OUTLIER -80.88 -5.54 57.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -143.38 114.81 8.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 2.4 tppp? 60.59 98.75 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.8 -7.63 66.18 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.663 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.99 -109.03 0.18 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 24.8 mt -141.08 107.85 2.11 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.846 0.355 . . . . 10.0 110.94 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.527 HG22 ' HB ' ' O' ' 32' ' ' ILE . 17.5 pt -125.78 135.31 64.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.663 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.25 137.97 9.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.831 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.1 mp -126.47 111.14 14.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' M' ' 35' ' ' MET . 1.8 mpt? -109.79 119.98 41.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.32 114.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.29 114.28 3.14 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.037 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.18 113.72 2.0 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.009 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 t -117.09 122.16 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.9 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.194 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.839 0.352 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.52 110.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' P' ' 13' ' ' HIS . 61.4 t60 -119.36 130.61 55.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.267 0.556 . . . . 10.0 111.558 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.43 110.97 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.455 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -115.55 125.59 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.523 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -126.32 124.43 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.025 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.64 108.94 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.544 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.51 ' HB ' HG23 ' P' ' 18' ' ' VAL . 9.1 t -118.0 113.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.468 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.38 126.14 46.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.792 0.329 . . . . 10.0 111.236 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -117.16 120.61 38.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.32 103.65 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.406 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -120.69 118.95 31.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.048 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.53 129.43 45.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.941 0.401 . . . . 10.0 110.088 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.428 ' HA ' HG23 ' N' ' 24' ' ' VAL . 6.5 t -85.96 65.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.079 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -65.35 173.2 20.72 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.723 -0.671 . . . . 10.0 112.895 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -152.78 -52.4 0.11 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.407 . . . . 10.0 109.915 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -130.53 116.93 18.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.387 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 93.6 mttt 67.28 107.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.51 -12.27 83.81 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.333 -1.107 . . . . 10.0 110.333 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 68.45 -135.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.558 0.743 . . . . 10.0 112.67 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 38.6 mt -121.26 107.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.197 0.522 . . . . 10.0 111.439 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . 0.527 ' HB ' HG22 ' N' ' 32' ' ' ILE . 52.2 mt -120.94 128.52 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.753 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.64 121.65 3.7 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.825 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -104.93 122.69 46.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.556 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.3 mmt -119.74 102.1 8.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.91 0.386 . . . . 10.0 110.655 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 t -101.37 111.03 29.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.136 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -115.6 111.36 2.42 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.476 -0.869 . . . . 10.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.99 118.95 3.45 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.132 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.38 125.59 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.035 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.801 0.334 . . . . 10.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.52 133.89 64.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.094 0.473 . . . . 10.0 111.376 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . 0.427 ' HB3' ' ND1' ' O' ' 13' ' ' HIS . 1.3 t-80 -128.43 118.39 23.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.112 -0.495 . . . . 10.0 109.749 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -117.72 109.89 17.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.9 126.69 55.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.981 0.42 . . . . 10.0 110.113 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -126.3 116.87 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.127 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 22.8 tp -122.67 115.35 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.086 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' O' ' 18' ' ' VAL . 13.7 p -132.45 136.31 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 10.0 111.425 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -137.8 134.32 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -119.31 115.66 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.354 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 116.0 20.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.623 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.46 148.08 49.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.911 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -158.05 172.59 18.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.41 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.78 72.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . 0.528 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -82.69 85.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.003 -0.617 . . . . 10.0 112.551 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -48.41 81.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.276 0.56 . . . . 10.0 110.755 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -126.97 107.43 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.346 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . 0.697 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 13.8 ttmt 70.63 111.67 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.998 0.811 . . . . 10.0 112.913 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.35 3.47 62.6 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.094 -0.574 . . . . 10.0 111.942 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . 0.414 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 64.2 -170.0 0.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.268 0.627 . . . . 10.0 112.431 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 59.6 mt -99.15 109.98 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.927 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . 0.422 HG13 HG23 ' O' ' 32' ' ' ILE . 18.1 pt -129.36 145.66 35.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 128.46 5.01 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.881 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -108.06 103.85 13.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.465 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.6 mpt? -103.13 125.93 50.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.731 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -119.81 122.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.549 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.55 102.62 0.83 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.637 -0.792 . . . . 10.0 112.199 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 113.04 2.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.772 -0.728 . . . . 10.0 112.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.42 130.7 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . 0.45 HG13 ' HB ' ' O' ' 40' ' ' VAL . 1.5 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 39.4 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -104.4 116.26 31.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 10.0 111.772 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -124.51 80.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.99 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -103.1 125.77 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.584 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -135.57 126.32 27.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.098 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -124.26 120.08 31.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 HG13 ' B' ' 18' ' ' VAL . 11.0 p -133.15 128.81 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.417 0.627 . . . . 10.0 111.729 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.24 118.6 31.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.57 109.94 22.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.265 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.56 109.64 21.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 10.0 111.023 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.759 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 5.5 tp10 -96.92 106.19 18.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -106.54 132.79 52.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.728 0.299 . . . . 10.0 111.311 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 23' ' ' ASP . 6.7 t -125.25 29.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.801 0.81 . . . . 10.0 110.082 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -78.03 122.77 6.1 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.796 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -28.72 10.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.706 -0.29 . . . . 10.0 111.613 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -133.9 116.37 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.014 0.376 . . . . 10.0 112.014 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 60.5 mttp 61.27 95.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -19.21 79.92 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.416 -1.074 . . . . 10.0 110.416 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.96 -122.01 0.25 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -121.08 128.66 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 10.0 112.069 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.515 HD12 HD11 ' B' ' 32' ' ' ILE . 2.8 tt -137.61 129.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.99 118.18 3.72 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.918 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.66 105.68 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.2 mpt? -110.88 111.69 23.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.995 0.426 . . . . 10.0 111.455 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.5 t -114.3 110.43 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.73 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.16 106.83 1.1 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.42 95.95 0.53 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.968 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -99.09 127.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 10.0 111.075 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' B' ' 40' ' ' VAL . 26.2 m . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.965 0.412 . . . . 10.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.48 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 21.3 t -110.3 124.5 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.563 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -118.48 115.85 25.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -119.29 114.94 23.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.752 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -130.88 123.43 28.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.201 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.38 122.54 33.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.363 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.441 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.9 mp -114.14 109.08 17.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.449 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' C' ' 18' ' ' VAL . 8.1 t -119.4 118.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -122.6 129.25 51.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.888 0.375 . . . . 10.0 111.324 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -108.65 119.69 40.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.689 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.09 103.58 7.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.703 0.287 . . . . 10.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.759 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 21.4 tt0 -101.62 122.0 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.31 146.31 42.51 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.763 0.665 . . . . 10.0 109.324 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.9 t -128.54 20.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.415 0.626 . . . . 10.0 109.806 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -67.47 85.06 0.14 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.789 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -32.85 72.93 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.707 0.289 . . . . 10.0 111.605 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.75 112.67 16.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 94.8 mttt 61.53 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -19.36 78.1 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 110.829 -0.909 . . . . 10.0 110.829 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.77 -108.64 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.037 0.754 . . . . 10.0 113.037 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 97.1 mt -139.44 105.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.368 0.604 . . . . 10.0 111.608 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.69 HG22 HG12 ' C' ' 32' ' ' ILE . 43.7 pt -119.33 139.3 47.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.086 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.91 136.24 7.86 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.419 -0.896 . . . . 10.0 113.498 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.1 mp -129.22 121.3 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -120.03 119.4 33.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.433 . . . . 10.0 111.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.88 114.48 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.598 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.59 109.78 1.82 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.931 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 116.06 3.17 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.614 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.92 115.19 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.622 ' HB ' HG12 ' A' ' 40' ' ' VAL . 61.1 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.407 . . . . 10.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.44 118.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.773 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -115.34 122.37 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.687 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -124.43 103.75 8.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.708 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -118.67 122.99 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.635 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.47 ' HD3' ' HE3' ' D' ' 16' ' ' LYS . 61.0 mtpt -130.03 127.28 39.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.201 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.11 115.88 24.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.682 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' B' ' 18' ' ' VAL . 2.5 t -126.07 115.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 10.0 110.891 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -117.75 128.46 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.936 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.64 110.22 21.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.13 108.02 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -112.62 115.85 29.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.345 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -107.92 157.03 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.538 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.751 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.4 t -135.03 26.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.235 0.541 . . . . 10.0 109.815 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.648 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.57 77.39 0.37 Allowed Glycine 0 C--O 1.224 -0.509 0 CA-C-N 115.791 -0.64 . . . . 10.0 114.108 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.661 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 0.9 OUTLIER -54.92 -32.12 60.84 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -126.15 113.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.585 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 94.6 mttt 61.05 99.79 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.471 1.285 . . . . 10.0 114.471 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.09 -21.7 77.07 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 110.22 -1.152 . . . . 10.0 110.22 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.35 -116.85 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 18.2 mt -131.73 108.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.957 0.408 . . . . 10.0 111.755 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.69 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -120.43 140.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.129 -0.322 . . . . 10.0 110.129 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.2 127.31 4.32 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.35 -0.929 . . . . 10.0 113.018 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.1 mp -122.23 111.41 16.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -113.68 119.5 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.185 0.517 . . . . 10.0 111.459 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -113.1 122.35 67.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.682 . . . . 10.0 109.625 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.67 109.46 1.24 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.104 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.35 114.86 3.07 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.743 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 t -114.15 114.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.412 ' O ' HD13 ' K' ' 31' ' ' ILE . 80.6 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.464 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 t -125.86 114.65 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.537 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -116.92 122.25 43.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 10.0 111.51 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -122.32 108.75 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.335 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -121.59 125.67 47.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.683 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.624 ' HB2' ' HG2' ' E' ' 16' ' ' LYS . 14.0 mptt -126.04 126.84 44.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 10.0 111.717 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.572 HD13 ' HB2' ' E' ' 17' ' ' LEU . 3.8 mm? -115.13 108.49 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 10.5 t -122.12 117.01 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.33 . . . . 10.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -123.85 128.38 49.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.376 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.62 119.87 40.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.325 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.88 101.98 6.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 10.0 110.042 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -107.92 116.99 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 2.4 t70 -112.67 161.21 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.919 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' E' ' 26' ' ' SER . 1.6 t -138.35 31.02 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.177 0.513 . . . . 10.0 109.69 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.646 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -74.4 75.19 1.21 Allowed Glycine 0 C--O 1.22 -0.761 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.36 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.751 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.8 OUTLIER -54.25 -21.92 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.477 0.918 . . . . 10.0 113.477 -178.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -134.96 109.01 8.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 99.8 mttt 64.61 102.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 -21.06 80.08 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.117 -0.793 . . . . 10.0 111.117 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.97 -117.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.603 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 69.7 mt -132.88 111.09 16.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.352 0.596 . . . . 10.0 112.11 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.5 pt -118.89 143.84 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.897 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.89 119.98 1.94 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.597 -0.811 . . . . 10.0 113.003 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.32 117.56 32.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.587 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 16.4 mmt -116.27 108.47 16.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.048 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -107.97 109.54 28.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.028 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -116.82 114.72 3.09 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.33 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.24 118.25 3.49 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.107 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.52 118.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.878 0.37 . . . . 10.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.43 ' O ' HD13 ' L' ' 31' ' ' ILE . 62.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.036 0.446 . . . . 10.0 110.74 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 t -107.59 99.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -102.59 121.44 42.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.859 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -123.62 110.58 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.01 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -129.61 122.13 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.043 0.449 . . . . 10.0 111.22 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.791 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 79.1 mttt -128.81 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.252 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.572 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.9 mp -124.15 112.35 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.754 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 14.6 t -122.04 122.34 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.411 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 10.5 m-85 -120.84 133.26 55.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.217 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.22 122.5 47.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.31 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.87 102.64 6.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.975 0.417 . . . . 10.0 109.972 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.54 118.65 37.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.952 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -111.46 164.04 13.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' F' ' 26' ' ' SER . 4.8 t -137.82 10.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 10.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.61 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -60.69 90.59 0.05 OUTLIER Glycine 0 C--O 1.218 -0.866 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.747 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.2 m -69.68 -6.78 33.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -149.37 118.03 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.911 -0.131 . . . . 10.0 111.194 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' F' ' 28' ' ' LYS . 56.2 mttt 58.74 91.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.84 -23.8 67.73 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.705 -0.958 . . . . 10.0 110.705 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.519 ' HB2' ' HG3' ' F' ' 28' ' ' LYS . . . 77.06 -129.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.752 0.821 . . . . 10.0 113.05 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 8.6 mm -114.88 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.399 . . . . 10.0 111.772 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.662 HG22 ' HB ' ' F' ' 32' ' ' ILE . 20.8 pt -130.55 131.93 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.314 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.53 132.38 6.74 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.604 -0.808 . . . . 10.0 113.074 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.76 111.72 17.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.41 ' HB2' ' SD ' ' F' ' 35' ' ' MET . 1.9 mpt? -112.38 115.56 28.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.962 0.411 . . . . 10.0 111.285 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.36 118.06 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.0 109.0 1.54 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.15 -0.547 . . . . 10.0 112.092 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.05 113.94 2.77 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.26 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.89 114.22 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 35.4 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.811 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.023 0.44 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -126.05 118.94 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.315 0.578 . . . . 10.0 111.006 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' F' ' 15' ' ' GLN . 35.2 t60 -113.9 123.98 51.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.352 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -124.34 108.46 12.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.906 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.423 ' HB2' ' NE2' ' F' ' 13' ' ' HIS . 47.0 tt0 -127.94 120.21 27.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.781 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.791 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 54.2 mtmt -131.97 129.17 39.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.102 0.477 . . . . 10.0 111.332 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -121.77 127.04 50.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.798 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.582 HG13 HG13 ' G' ' 18' ' ' VAL . 6.0 p -136.22 120.34 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.482 0.658 . . . . 10.0 111.082 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.401 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 6.9 m-85 -117.65 130.79 56.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.563 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.72 110.96 22.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.508 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.19 99.07 6.63 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -114.1 118.54 34.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.174 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.83 168.2 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 3.3 t -133.67 2.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.806 0.336 . . . . 10.0 110.527 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 103.04 0.19 Allowed Glycine 0 C--O 1.216 -0.996 0 C-N-CA 121.317 -0.468 . . . . 10.0 112.144 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 29.7 m -82.01 6.39 16.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 -177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -155.25 117.72 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' E' ' 28' ' ' LYS . 46.7 tttt 54.52 96.4 0.02 OUTLIER 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.679 1.362 . . . . 10.0 114.679 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -22.35 70.5 Favored Glycine 0 C--N 1.331 0.299 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.76 -104.07 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 29.4 mt -134.88 107.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 10.0 111.402 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' E' ' 32' ' ' ILE . 60.6 mt -126.43 127.78 70.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 10.0 109.881 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.89 135.03 7.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.807 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.458 ' HG ' HD13 ' G' ' 34' ' ' LEU . 5.7 mp -121.35 115.1 22.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.62 ' HG3' ' HA3' ' N' ' 37' ' ' GLY . 16.7 mmt -112.31 116.1 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.838 0.351 . . . . 10.0 110.501 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -116.32 112.39 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.015 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.663 ' HA3' ' HG3' ' N' ' 35' ' ' MET . . . -117.65 114.77 3.02 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.997 -0.62 . . . . 10.0 112.668 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 114.02 2.41 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.0 -0.619 . . . . 10.0 111.99 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 44.7 t -117.53 117.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 4.5 p . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 120.642 0.258 . . . . 10.0 111.308 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.623 0.249 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 106.24 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -114.2 121.7 44.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 10.0 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.87 105.32 9.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.987 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' H' ' 15' ' ' GLN . 16.5 tt0 -123.51 125.62 45.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 10.0 111.024 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 48.6 mtmt -131.9 133.18 44.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.773 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.09 118.82 30.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.582 HG13 HG13 ' F' ' 18' ' ' VAL . 4.4 t -125.88 124.49 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 111.346 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.33 126.41 43.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.4 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -110.57 111.01 21.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.734 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.98 103.5 8.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.51 115.0 20.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.705 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -124.72 125.74 44.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 3.6 t -82.71 65.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.765 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -67.25 170.07 35.03 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.377 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -141.38 -49.12 0.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.059 0.457 . . . . 10.0 109.903 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.23 124.13 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 39.9 ttmt 64.27 98.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 -18.67 77.08 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 110.943 -0.863 . . . . 10.0 110.943 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.34 -120.08 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 58.6 mt -130.55 113.54 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.191 0.52 . . . . 10.0 111.967 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 42.7 mt -125.77 126.16 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 116.11 2.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.622 -0.799 . . . . 10.0 112.448 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.458 HD13 ' HG ' ' F' ' 34' ' ' LEU . 6.1 mp -98.8 125.94 44.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.1 mmt -122.2 113.97 20.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.813 0.339 . . . . 10.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.411 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.5 t -115.31 113.4 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.798 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.52 111.36 2.03 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.422 -0.894 . . . . 10.0 112.926 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 122.94 5.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 17.2 t -125.48 119.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.471 ' O ' HD13 ' O' ' 31' ' ' ILE . 59.6 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.211 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.645 0.259 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.53 123.68 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.381 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -127.0 127.28 44.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.936 0.398 . . . . 10.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -119.71 124.06 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.417 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' G' ' 15' ' ' GLN . 61.4 tt0 -141.5 124.65 16.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 10.0 111.232 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -137.01 117.38 13.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.369 0.604 . . . . 10.0 111.584 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.09 111.0 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 28.8 t -121.02 124.02 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -130.03 140.95 50.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.714 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -118.41 118.52 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.102 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.34 107.18 10.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.065 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.05 137.7 54.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.26 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.03 -175.43 4.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.354 . . . . 10.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.87 56.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.381 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -76.88 81.67 1.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.905 -0.589 . . . . 10.0 112.026 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -57.61 -44.72 85.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 10.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -135.61 118.78 16.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt 67.97 96.28 0.06 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.794 0.684 . . . . 10.0 111.739 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.44 6.75 35.75 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.237 -0.506 . . . . 10.0 112.513 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.27 -159.11 0.3 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.113 0.565 . . . . 10.0 111.815 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 60.1 mt -110.43 104.45 17.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 48.0 pt -121.2 151.51 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.25 111.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.705 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.1 106.97 18.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.603 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 5.5 ptp -120.33 128.05 52.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.097 0.475 . . . . 10.0 112.143 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.401 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 9.9 p -129.67 140.02 50.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.276 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.65 132.17 6.35 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.586 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.23 119.1 2.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.721 -0.551 . . . . 10.0 111.721 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 43.5 t -124.05 124.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.411 HG23 HG13 ' G' ' 40' ' ' VAL . 5.0 m . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.624 0.25 . . . . 10.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 t -94.48 107.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -109.98 110.43 21.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.726 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -120.9 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.317 0.58 . . . . 10.0 109.964 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.406 ' HG3' ' HB3' ' J' ' 15' ' ' GLN . 46.4 tt0 -114.67 133.11 56.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.955 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.513 ' HG3' ' HG2' ' J' ' 16' ' ' LYS . 12.2 ptpt -147.6 137.03 22.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.189 0.519 . . . . 10.0 111.676 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.22 125.11 48.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.685 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -125.47 116.49 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.014 0.435 . . . . 10.0 111.047 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.1 125.94 54.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.47 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.09 107.19 17.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.518 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.97 97.55 7.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.41 . . . . 10.0 110.357 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -96.85 107.89 20.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.839 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -104.86 142.56 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 111.533 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' J' ' 23' ' ' ASP . 5.7 t -129.04 31.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.872 0.844 . . . . 10.0 109.239 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -75.78 121.62 6.38 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.593 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -84.06 -45.02 13.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 10.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.07 141.44 30.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 66.8 mttm 61.1 87.05 0.1 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.546 -1.206 . . . . 10.0 113.365 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 -24.76 75.25 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.46 -137.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.5 129.31 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.13 0.491 . . . . 10.0 112.07 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -138.26 122.55 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.0 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.84 117.68 4.11 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.649 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.44 103.36 9.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.573 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.1 mpt? -111.55 117.83 34.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 10.0 112.031 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -116.53 108.23 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.405 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.92 104.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.433 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 99.89 0.99 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.31 112.11 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.71 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.854 0.359 . . . . 10.0 111.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -121.06 111.2 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -113.51 119.78 38.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.115 0.483 . . . . 10.0 111.576 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -123.54 112.76 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 25.7 tt0 -129.26 126.12 38.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.019 0.437 . . . . 10.0 111.346 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.579 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 58.0 mttt -126.22 126.23 43.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -119.16 101.52 8.06 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.72 117.52 55.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.992 0.425 . . . . 10.0 110.799 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.98 125.48 47.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.456 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.73 120.46 40.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.73 104.2 7.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.825 0.345 . . . . 10.0 110.447 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.35 124.27 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -117.01 148.15 41.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.863 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.9 t -129.1 19.71 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 10.0 110.11 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 84.53 0.1 Allowed Glycine 0 C--O 1.227 -0.343 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.428 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -68.36 -31.47 70.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -129.09 111.91 13.44 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.083 -0.247 . . . . 10.0 111.12 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 68.1 mttt 64.74 103.62 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.61 -20.43 76.61 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.37 -97.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 2.1 tp -152.14 102.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.514 0.673 . . . . 10.0 111.873 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.648 HG22 HG12 ' K' ' 32' ' ' ILE . 47.7 pt -115.99 140.56 37.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -139.24 132.18 5.56 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.238 -0.982 . . . . 10.0 113.548 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.1 mp -128.76 119.27 24.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.573 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -124.57 118.87 27.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.861 0.362 . . . . 10.0 111.223 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.538 HG23 ' HB ' ' K' ' 36' ' ' VAL . 4.1 p -118.52 118.25 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.126 0.488 . . . . 10.0 110.364 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.73 118.72 4.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.935 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 109.7 1.57 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.322 -0.711 . . . . 10.0 111.322 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.01 113.34 43.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.436 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.224 0.535 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -116.84 123.94 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.177 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 13' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' L' ' 40' ' ' VAL . 80.3 t60 -120.25 118.88 31.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -121.06 103.16 8.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.156 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -120.82 120.9 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 10.0 111.023 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 16' ' ' LYS . . . . . 0.579 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 40.6 mtmt -129.13 128.71 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.384 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.29 113.44 20.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.608 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 t -122.4 115.59 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.19 0.519 . . . . 10.0 110.55 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -117.4 129.99 56.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.62 115.71 30.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.95 109.29 12.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.107 0.479 . . . . 10.0 109.949 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -114.69 118.92 35.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -109.64 153.88 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.688 ' O ' ' HA ' ' L' ' 26' ' ' SER . 3.7 t -131.17 25.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.376 0.608 . . . . 10.0 109.755 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 25' ' ' GLY . . . . . 0.643 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -67.72 77.39 0.2 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.676 -0.693 . . . . 10.0 113.313 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 26' ' ' SER . . . . . 0.67 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 2.3 m -56.35 -28.7 59.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -131.8 116.88 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.0 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.687 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 88.0 mttt 59.29 95.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.126 1.158 . . . . 10.0 114.126 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.88 73.8 Favored Glycine 0 C--N 1.33 0.247 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.1 -119.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 5.6 mt -126.63 111.32 25.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.877 0.37 . . . . 10.0 111.958 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.648 HG12 HG22 ' J' ' 32' ' ' ILE . 11.8 pt -123.32 137.23 57.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -133.73 126.49 4.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.334 -0.936 . . . . 10.0 113.332 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.55 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -122.43 114.93 21.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -118.07 121.4 40.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 10.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.538 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -113.92 125.42 71.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.723 -0.672 . . . . 10.0 109.626 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 106.07 0.89 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 121.021 -0.609 . . . . 10.0 111.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.16 113.4 3.04 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.811 -0.709 . . . . 10.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.77 114.23 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.739 0.305 . . . . 10.0 110.241 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.417 ' O ' HD13 ' C' ' 31' ' ' ILE . 39.1 t . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.348 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.342 -0.244 . . . . 10.0 110.342 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 115.27 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -117.43 121.67 41.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.95 0.405 . . . . 10.0 111.337 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 14' ' ' HIS . . . . . 0.645 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 5.0 m-70 -121.15 107.86 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.267 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -121.44 125.67 47.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 16' ' ' LYS . . . . . 0.645 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -129.68 125.5 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.068 0.461 . . . . 10.0 111.751 -179.599 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.9 mm? -112.61 113.12 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.349 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.8 t -123.07 116.68 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 10.0 110.523 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -123.16 125.93 46.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.851 0.358 . . . . 10.0 111.573 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.33 117.67 34.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.312 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.54 100.52 6.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 10.0 110.197 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -108.2 115.98 31.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.256 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.89 160.43 16.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.801 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 0.8 OUTLIER -138.97 32.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.012 178.726 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 25' ' ' GLY . . . . . 0.678 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -74.42 77.43 1.05 Allowed Glycine 0 C--O 1.22 -0.777 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.085 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 26' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.2 OUTLIER -52.3 -25.27 9.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -179.116 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -134.78 111.55 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.824 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.0 mttt 65.13 104.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -22.78 78.71 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.635 -0.986 . . . . 10.0 110.635 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.58 -106.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.154 1.168 . . . . 10.0 114.154 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.606 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 26.8 mt -142.56 110.05 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.166 0.508 . . . . 10.0 111.544 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 pt -119.9 142.78 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.112 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.26 121.81 2.39 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.791 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -118.2 118.18 31.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.433 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.6 mpt? -119.89 108.9 14.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.974 0.416 . . . . 10.0 111.192 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.45 109.09 26.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.826 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.587 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.29 114.29 3.24 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.431 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.05 120.11 4.24 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.144 -0.55 . . . . 10.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.15 121.02 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.166 0.508 . . . . 10.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -104.79 100.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.308 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -102.24 121.79 42.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.941 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -122.91 108.47 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.086 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.92 120.0 30.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.833 0.349 . . . . 10.0 110.535 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -131.03 126.19 35.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.128 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.484 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -121.88 117.1 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.768 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 11.0 t -124.38 121.17 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.812 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -118.26 134.73 54.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.067 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -114.74 113.26 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.394 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 110.72 15.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.89 0.376 . . . . 10.0 110.176 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.78 123.19 45.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.056 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -112.42 163.86 13.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' N' ' 26' ' ' SER . 3.5 t -139.0 12.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.949 0.404 . . . . 10.0 110.215 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.678 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -61.34 97.81 0.15 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.927 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -66.78 -19.08 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.01 0.405 . . . . 10.0 112.07 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -141.91 119.94 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.716 0.294 . . . . 10.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 23.3 mttt 59.96 95.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.81 -18.58 72.51 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.42 -131.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 42.0 mt -117.55 113.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.153 0.502 . . . . 10.0 112.342 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.579 HG22 ' HB ' ' N' ' 32' ' ' ILE . 28.3 pt -127.3 137.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.09 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.62 134.56 7.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.849 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.16 108.9 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' N' ' 35' ' ' MET . 2.0 mpt? -111.65 117.99 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.053 0.454 . . . . 10.0 111.241 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -113.61 118.48 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.835 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.62 108.12 1.54 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.209 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.15 110.4 2.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.25 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.6 117.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.382 0.134 . . . . 10.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -125.07 117.95 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 10.0 111.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 13' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' N' ' 15' ' ' GLN . 38.2 t-80 -114.3 120.26 39.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.566 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.19 108.65 14.48 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 15' ' ' GLN . . . . . 0.66 ' HB2' ' CE1' ' N' ' 13' ' ' HIS . 35.3 tt0 -127.43 119.05 25.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.93 0.395 . . . . 10.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -132.65 130.25 39.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.497 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -123.94 117.61 25.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.685 -0.688 . . . . 10.0 109.973 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.65 119.35 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.565 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -120.28 124.22 45.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.25 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -105.48 114.73 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.432 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.83 105.61 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 22' ' ' GLU . . . . . 0.48 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 42.5 tt0 -122.62 121.81 37.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.617 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -116.62 162.26 17.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' O' ' 24' ' ' VAL . 2.7 t -127.47 4.64 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.69 0.281 . . . . 10.0 110.966 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 105.93 0.48 Allowed Glycine 0 C--O 1.215 -1.045 0 N-CA-C 111.507 -0.637 . . . . 10.0 111.507 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 26' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 1.3 m -83.1 11.79 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -165.63 124.31 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 21.9 tptm 60.47 87.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 124.054 0.846 . . . . 10.0 113.09 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -23.45 68.58 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.594 -0.812 . . . . 10.0 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.58 -108.09 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 18.5 mt -135.28 107.06 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.422 . . . . 10.0 111.443 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.579 ' HB ' HG22 ' M' ' 32' ' ' ILE . 56.8 mt -124.5 127.88 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.07 134.61 7.81 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.889 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.504 ' HG ' HD13 ' O' ' 34' ' ' LEU . 5.8 mp -120.14 115.92 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.663 ' HG3' ' HA3' ' F' ' 37' ' ' GLY . 19.5 mmt -113.3 114.5 26.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 10.0 110.39 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 t -114.96 110.91 33.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.069 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.62 ' HA3' ' HG3' ' F' ' 35' ' ' MET . . . -116.02 116.56 3.67 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.667 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.69 114.53 2.36 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.217 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 50.9 t -116.18 118.28 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 2.9 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.194 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 12' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' P' ' 12' ' ' VAL . 16.9 t -131.05 109.37 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.921 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -113.91 123.12 48.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -123.57 100.89 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.257 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -116.02 118.34 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 10.0 110.783 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -127.62 126.54 42.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.44 121.38 38.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.974 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.4 t -128.97 129.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.549 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.67 130.88 49.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -113.58 104.83 12.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.222 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.17 105.99 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 22' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' N' ' 22' ' ' GLU . 57.2 tt0 -130.03 120.59 24.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.09 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -127.12 129.34 47.75 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.452 ' HA ' ' CG2' ' N' ' 24' ' ' VAL . 3.6 t -86.94 63.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.36 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -67.22 167.04 40.39 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.6 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -134.16 -44.8 0.78 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.146 0.498 . . . . 10.0 109.774 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' P' ' 27' ' ' ASN . 7.3 t30 -144.99 122.95 12.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.06 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.697 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 35.8 ttmt 66.09 104.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.54 -13.91 83.02 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.798 -0.921 . . . . 10.0 110.798 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.51 -118.13 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 18.7 mt -131.85 113.25 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.232 0.539 . . . . 10.0 111.654 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mt -122.94 130.33 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.048 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.51 112.34 1.25 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.504 HD13 ' HG ' ' N' ' 34' ' ' LEU . 5.8 mp -96.1 123.63 39.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -120.68 112.08 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.703 0.287 . . . . 10.0 110.834 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.84 111.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.47 107.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 125.19 6.33 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.458 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 22.5 t -126.83 121.6 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.2 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' O' ' 12' ' ' VAL . 9.5 p -128.15 125.15 63.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -119.45 124.73 47.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.13 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -120.05 112.83 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.085 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -122.25 124.19 43.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.92 111.16 13.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.18 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.72 114.98 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.119 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.7 p -137.63 132.07 44.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 10.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.19 137.32 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -114.83 120.61 40.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.466 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 112.97 10.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.023 0.439 . . . . 10.0 111.031 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -128.63 144.19 51.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -141.7 -176.06 4.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.928 0.394 . . . . 10.0 110.312 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.19 54.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.95 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 25' ' ' GLY . . . . . 0.534 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -75.98 83.9 0.93 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.374 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.85 -49.51 73.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.599 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' O' ' 27' ' ' ASN . 7.4 t30 -131.66 115.15 15.67 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.243 -0.286 . . . . 10.0 111.579 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 28' ' ' LYS . . . . . 0.431 ' HG2' ' H ' ' P' ' 30' ' ' ALA . 24.7 ttmt 67.43 98.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.074 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.78 11.59 33.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.135 -0.555 . . . . 10.0 112.135 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.431 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 61.48 -158.78 0.33 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.227 0.611 . . . . 10.0 111.786 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 3.0 mp -102.65 108.56 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tt -122.82 131.33 73.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.448 . . . . 10.0 111.071 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 135.93 9.15 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.946 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.01 106.02 13.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.431 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.4 mpt? -100.31 114.53 28.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.922 0.391 . . . . 10.0 111.584 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -116.77 126.95 74.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.426 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 37' ' ' GLY . . . . . 0.603 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -134.69 135.37 7.91 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.373 -0.918 . . . . 10.0 112.515 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.17 112.77 0.73 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.075 -0.583 . . . . 10.0 111.766 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 42.6 t -119.59 122.46 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.688 0.28 . . . . 10.0 110.326 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.964 -0.541 . . . . 10.0 111.126 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 18.2 t . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.588 ' HE1' HG11 ' B' ' 40' ' ' VAL . 44.1 t60 -102.51 109.95 21.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.1 0.476 . . . . 10.0 111.849 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -120.7 106.36 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.336 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.02 130.68 55.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.835 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HG2' ' B' ' 16' ' ' LYS . 56.6 mttm -131.32 123.28 27.96 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.102 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -130.86 120.48 23.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' CG1' HG12 ' B' ' 18' ' ' VAL . 14.3 p -146.81 128.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.597 0.713 . . . . 10.0 111.909 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -111.83 127.69 55.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.767 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.49 90.99 3.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.38 94.74 5.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.298 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -99.23 118.75 36.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.128 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -112.56 155.69 23.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.016 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 23' ' ' ASP . 3.8 t -122.16 39.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.716 -0.846 . . . . 10.0 108.716 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -72.86 85.45 0.56 Allowed Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.597 -0.729 . . . . 10.0 112.47 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -34.76 72.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.722 0.296 . . . . 10.0 111.54 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.38 112.88 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.8 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 65.3 mttp 61.75 103.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.01 74.58 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.259 -1.137 . . . . 10.0 110.259 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.73 -129.56 0.08 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HB ' HG12 ' B' ' 31' ' ' ILE . 23.7 mt -109.09 133.28 54.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.165 0.507 . . . . 10.0 111.862 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tt -141.04 139.67 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.805 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -133.68 107.81 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.492 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.5 102.87 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.493 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.1 mpt? -110.49 95.45 5.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.615 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.71 95.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.35 112.41 4.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.743 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.91 109.87 2.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 ' HA3' ' I' ' 33' ' ' GLY . 13.5 t -116.21 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.904 0.383 . . . . 10.0 110.034 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.647 179.482 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.674 0.273 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.61 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 9.3 t -104.82 109.55 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -114.04 116.46 29.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.654 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -123.98 115.11 20.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.129 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -129.34 120.32 25.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.194 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 61.5 mtpt -124.71 123.54 40.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.338 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.468 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -118.48 111.13 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.541 HG23 HG13 ' C' ' 18' ' ' VAL . 2.3 m -121.53 115.82 47.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 10.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.3 128.12 55.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.814 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -108.28 123.82 49.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.816 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.79 106.92 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.851 0.358 . . . . 10.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -103.27 124.97 49.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -116.0 154.76 29.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.779 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.734 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.8 t -135.11 20.42 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.446 0.641 . . . . 10.0 109.301 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.624 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -67.89 83.39 0.16 Allowed Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.61 -0.723 . . . . 10.0 113.254 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -69.11 -23.04 63.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.528 0.204 . . . . 10.0 111.266 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -133.75 107.25 7.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.659 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 96.7 mttt 63.95 108.38 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.07 -13.86 82.9 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.641 -0.984 . . . . 10.0 110.641 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.68 -105.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.091 0.774 . . . . 10.0 113.091 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 84.1 mt -143.54 101.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 10.0 110.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.734 HG22 HG12 ' C' ' 32' ' ' ILE . 49.5 pt -115.05 137.86 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.694 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.32 134.89 7.28 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.349 -0.929 . . . . 10.0 113.471 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.551 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.6 mp -132.44 114.36 14.23 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.493 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -113.39 126.29 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.352 0.596 . . . . 10.0 111.693 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.26 126.62 74.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.653 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.11 99.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.971 -0.633 . . . . 10.0 111.75 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.92 108.93 2.48 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.842 -0.694 . . . . 10.0 111.73 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.41 HG21 ' HA3' ' J' ' 33' ' ' GLY . 21.1 t -116.37 117.82 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.878 0.37 . . . . 10.0 110.524 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.588 HG11 ' HE1' ' A' ' 13' ' ' HIS . 58.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.705 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.17 114.82 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.54 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -118.85 118.7 32.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.466 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -123.3 110.62 15.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.244 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -119.0 119.38 34.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.06 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -124.34 122.73 38.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.001 0.429 . . . . 10.0 111.701 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.25 117.89 31.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.541 HG13 HG23 ' B' ' 18' ' ' VAL . 2.6 t -125.69 116.59 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.41 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -121.88 129.44 52.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.67 0.272 . . . . 10.0 111.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -112.55 121.12 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.442 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.1 108.02 10.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 10.0 110.061 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -112.31 120.22 40.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.019 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.9 OUTLIER -115.72 158.09 23.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' D' ' 26' ' ' SER . 2.6 t -134.62 25.18 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.069 0.462 . . . . 10.0 109.939 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -70.86 83.45 0.39 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 116.131 -0.486 . . . . 10.0 113.479 -178.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.734 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 2.3 m -63.67 -16.09 60.08 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -137.84 112.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.684 -0.235 . . . . 10.0 111.397 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.715 ' O ' ' HA ' ' D' ' 28' ' ' LYS . 99.0 mttt 59.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.42 -19.34 70.6 Favored Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.62 -128.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 123.433 0.693 . . . . 10.0 112.489 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 3.1 mt -124.51 107.42 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.171 0.51 . . . . 10.0 111.704 -178.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.734 HG12 HG22 ' B' ' 32' ' ' ILE . 19.3 pt -118.45 137.79 51.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.076 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.3 126.88 4.71 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.346 -0.93 . . . . 10.0 113.199 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.551 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -121.74 116.35 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.724 ' HG3' ' HA3' ' K' ' 37' ' ' GLY . 14.6 mmt -114.27 121.65 44.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.945 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.2 111.07 33.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.454 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.47 114.83 3.25 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.202 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 111.56 1.71 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.25 119.55 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 10.0 110.545 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' B' ' 40' ' ' VAL . 64.4 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' E' ' 11' ' ' GLU . 26.8 mt-10 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.673 0.273 . . . . 10.0 110.764 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.07 107.07 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -110.69 119.78 40.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.8 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.59 111.48 17.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.212 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -122.55 121.43 36.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.497 ' HB2' ' HG3' ' E' ' 16' ' ' LYS . 43.5 mttp -129.38 124.38 34.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.155 0.502 . . . . 10.0 111.456 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -113.33 117.78 32.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.841 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 3.7 t -123.57 117.83 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.795 0.331 . . . . 10.0 110.51 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -123.82 126.46 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 10.0 111.555 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -108.07 117.82 35.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.414 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.78 110.57 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -119.36 120.46 36.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.445 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -116.37 159.37 22.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.45 10.03 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.184 0.516 . . . . 10.0 111.157 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.413 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -63.05 101.07 0.39 Allowed Glycine 0 C--O 1.219 -0.784 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.661 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.715 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 1.5 m -74.91 -5.79 45.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -143.47 112.27 6.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.924 -0.31 . . . . 10.0 111.75 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.715 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 97.7 mttt 62.02 101.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.16 76.63 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.495 -1.042 . . . . 10.0 110.495 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.87 -112.14 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.753 0.821 . . . . 10.0 113.193 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.599 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 52.9 mt -137.88 107.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 10.0 111.806 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.441 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.2 pt -115.2 143.13 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.946 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.23 110.51 0.78 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.364 -0.922 . . . . 10.0 113.261 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.08 117.43 34.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.592 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.8 mmt -116.24 111.16 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.052 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 t -107.84 119.46 57.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.686 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.22 106.13 0.84 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.883 -0.675 . . . . 10.0 112.263 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.42 115.71 3.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.945 -0.645 . . . . 10.0 111.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.56 120.3 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 10.0 110.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.205 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.537 ' HB2' ' HG2' ' D' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.871 0.367 . . . . 10.0 110.243 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.74 110.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.181 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -113.33 120.44 41.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.969 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -120.65 107.43 12.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.797 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.03 124.81 49.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.0 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.497 ' HG3' ' HB2' ' D' ' 16' ' ' LYS . 67.8 tttt -138.06 126.51 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.853 0.358 . . . . 10.0 110.859 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' F' ' 17' ' ' LEU . 5.7 mp -123.67 122.47 38.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.05 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 9.1 t -126.62 122.08 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.372 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.456 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -118.5 133.53 55.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.52 110.8 20.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.25 99.03 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -110.66 118.87 37.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.595 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -116.43 162.04 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.721 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.49 39.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' F' ' 26' ' ' SER . . . -61.12 179.75 3.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.649 -0.705 . . . . 10.0 114.12 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -152.58 -38.27 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.545 -0.327 . . . . 10.0 110.248 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -138.2 116.84 12.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 10.0 111.768 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 77.3 mttt 61.07 99.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.55 74.26 Favored Glycine 0 C--N 1.33 0.202 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' F' ' 28' ' ' LYS . . . 77.38 -121.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.48 HD13 ' HB ' ' D' ' 31' ' ' ILE . 6.8 mm -122.94 111.83 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.732 0.301 . . . . 10.0 111.702 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.31 130.77 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.827 0.346 . . . . 10.0 110.343 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.0 128.28 5.98 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.57 -0.824 . . . . 10.0 112.98 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.8 115.43 23.84 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.46 112.13 21.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.045 0.45 . . . . 10.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.3 110.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.947 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.17 110.34 2.16 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.058 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 114.24 2.56 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.727 -0.749 . . . . 10.0 111.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.7 t -116.02 114.34 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.66 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' G' ' 12' ' ' VAL . 4.3 p -134.13 109.52 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.418 0.627 . . . . 10.0 110.734 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.438 ' HE2' ' HB2' ' F' ' 15' ' ' GLN . 64.5 t60 -117.8 125.99 51.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.221 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.28 107.05 11.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.876 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.438 ' HB2' ' HE2' ' F' ' 13' ' ' HIS . 45.8 tt0 -114.3 121.02 42.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.546 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' HG2' ' G' ' 16' ' ' LYS . 91.8 mttt -127.03 121.83 32.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' E' ' 17' ' ' LEU . 5.1 mp -121.68 118.56 29.44 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.545 HG13 HG13 ' G' ' 18' ' ' VAL . 6.6 p -132.17 123.51 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.305 0.574 . . . . 10.0 111.382 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 7.5 m-85 -119.54 130.02 54.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -107.61 117.01 32.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.268 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 103.98 8.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.77 -0.455 . . . . 10.0 109.77 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -120.05 122.47 41.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.349 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -121.32 167.18 13.04 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' G' ' 24' ' ' VAL . 2.3 t -129.99 15.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 10.0 110.223 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -59.87 120.42 22.68 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 121.201 -0.524 . . . . 10.0 111.872 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.446 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.1 m -97.75 -9.82 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.81 127.08 12.15 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.973 -0.455 . . . . 10.0 111.999 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 17.2 tptm 57.72 89.74 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 124.155 0.909 . . . . 10.0 112.963 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.18 -20.45 67.2 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.532 -0.842 . . . . 10.0 111.518 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.739 0.815 . . . . 10.0 113.038 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 21.2 mt -135.21 110.61 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 10.0 111.44 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -124.6 130.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.217 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 129.3 6.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.741 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.56 106.99 12.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.425 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -109.91 117.83 34.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.093 0.473 . . . . 10.0 111.606 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -115.33 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.764 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 111.34 1.95 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.003 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.19 114.31 2.56 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.674 -0.774 . . . . 10.0 111.991 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.58 127.55 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 6.5 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 111.278 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.451 ' HA ' HG13 ' F' ' 12' ' ' VAL . 3.4 t -107.91 110.18 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.58 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -121.87 114.78 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.774 0.321 . . . . 10.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -118.78 113.53 21.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.114 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -124.45 120.41 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.553 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 49.5 mtmt -129.18 125.52 37.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 10.0 111.591 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.43 121.11 40.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.8 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.545 HG13 HG13 ' F' ' 18' ' ' VAL . 5.2 t -126.58 117.98 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.569 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.28 125.47 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.726 0.298 . . . . 10.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.88 115.33 29.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.676 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.74 113.37 18.5 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.52 116.19 15.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 10.0 111.645 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -125.11 137.77 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' F' ' 24' ' ' VAL . 2.6 t -93.25 61.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.014 0.435 . . . . 10.0 110.309 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -63.79 172.09 15.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.028 -0.606 . . . . 10.0 113.114 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -149.12 -51.29 0.15 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.291 0.567 . . . . 10.0 109.777 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -139.39 120.61 14.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.631 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 29.0 ttmt 66.47 99.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.994 0.809 . . . . 10.0 112.743 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.79 -14.77 79.76 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.16 -132.58 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.671 0.788 . . . . 10.0 112.655 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' H' ' 31' ' ' ILE . 41.4 mt -122.67 107.28 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.447 . . . . 10.0 111.473 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 54.2 mt -120.54 126.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.237 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.34 122.8 4.91 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.341 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -107.93 121.0 43.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.568 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 20.0 mmt -118.45 109.05 15.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.91 0.386 . . . . 10.0 111.047 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.456 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.6 t -107.48 110.58 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.139 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.444 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -116.44 111.0 2.25 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.3 118.26 3.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.087 -0.577 . . . . 10.0 111.721 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -122.72 118.95 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.715 0.293 . . . . 10.0 110.43 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 42.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.457 0.17 . . . . 10.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.42 96.38 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -102.15 130.28 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.827 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -129.7 99.76 5.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.794 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -119.56 123.61 44.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 4.5 ptmt -138.0 131.17 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.021 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -121.42 118.74 30.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.369 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 84.5 t -124.97 123.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 10.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -123.54 137.02 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -112.85 107.66 16.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.22 114.3 27.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -131.21 133.36 45.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.577 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -151.22 174.65 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' G' ' 24' ' ' VAL . 11.0 t -138.09 72.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.453 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -91.04 81.43 1.3 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.953 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -56.58 -48.96 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 10.0 110.994 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -126.07 107.41 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' G' ' 28' ' ' LYS . 32.1 ttpt 66.55 97.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.301 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 2.98 42.9 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.888 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.57 -164.97 0.19 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.121 0.568 . . . . 10.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 63.7 mt -95.39 113.58 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.064 0.459 . . . . 10.0 110.668 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 mt -118.15 132.94 66.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.762 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.444 ' HA3' HG21 ' P' ' 39' ' ' VAL . . . -132.15 111.65 1.07 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.564 -0.827 . . . . 10.0 112.493 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 73.7 mt -105.92 107.04 17.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.913 0.387 . . . . 10.0 110.056 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.568 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.1 mpt? -110.83 119.42 39.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.956 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.446 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 7.4 p -120.25 128.06 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.075 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.434 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -127.85 122.8 4.25 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.369 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.87 117.67 2.53 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.255 -0.738 . . . . 10.0 111.255 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.92 116.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.709 -0.662 . . . . 10.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.656 0.265 . . . . 10.0 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -104.6 112.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.09 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -114.71 116.02 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 10.0 111.287 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.51 106.83 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -133.92 130.45 37.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.263 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -144.01 130.41 19.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.488 . . . . 10.0 111.783 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.429 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.3 mp -120.39 121.36 38.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.391 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -128.19 126.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.911 0.386 . . . . 10.0 111.104 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -115.09 124.42 51.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.645 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -103.63 95.44 6.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.71 0.29 . . . . 10.0 110.869 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.05 95.31 7.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.296 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.76 96.16 9.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.766 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.8 146.63 26.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.752 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.492 HG23 ' O ' ' J' ' 23' ' ' ASP . 3.4 t -127.11 36.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 10.0 109.535 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.64 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -74.04 91.66 0.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.972 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -147.56 130.29 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.385 0.612 . . . . 10.0 112.649 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 97.8 mttt 65.86 93.0 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.577 -1.192 . . . . 10.0 113.721 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.14 -27.83 63.39 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.102 -0.799 . . . . 10.0 111.102 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.78 -133.5 0.07 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.3 mm -98.74 140.8 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 10.0 111.68 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -151.91 139.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.977 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.46 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -135.26 113.87 1.17 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.822 -0.704 . . . . 10.0 112.224 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -117.82 99.54 6.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.585 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.0 mpt? -106.79 104.3 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.088 0.471 . . . . 10.0 111.819 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.418 ' HA ' HG13 ' J' ' 36' ' ' VAL . 32.6 t -103.87 99.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.509 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 113.88 4.81 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.679 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.73 95.8 0.69 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.723 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.58 HG21 ' HA3' ' A' ' 33' ' ' GLY . 21.3 t -105.0 96.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.499 . . . . 10.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.618 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' K' ' 11' ' ' GLU . 11.9 tt0 . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.61 109.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.162 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -110.1 118.69 37.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -124.64 111.48 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -124.86 122.26 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 10.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.522 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 91.7 mttt -121.73 125.25 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.7 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.429 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.5 mp -122.68 114.21 20.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.414 HG23 HG13 ' K' ' 18' ' ' VAL . 0.0 OUTLIER -127.58 116.55 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 10.0 111.304 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -117.22 123.03 45.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.725 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.36 123.25 47.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.786 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.25 107.86 9.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.968 0.414 . . . . 10.0 110.69 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -104.17 126.3 51.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.413 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -119.74 150.55 40.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.689 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.4 t -132.37 25.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.64 ' O ' ' HA2' ' I' ' 25' ' ' GLY . . . -69.82 83.21 0.3 Allowed Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 113.049 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -37.48 80.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.319 . . . . 10.0 111.634 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -125.45 114.04 18.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.976 0.361 . . . . 10.0 111.976 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 84.2 mttt 63.72 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.2 -16.6 79.44 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.52 -95.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.79 0.836 . . . . 10.0 112.809 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.1 tt -160.44 102.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.905 0.859 . . . . 10.0 112.295 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.623 HG22 HG12 ' K' ' 32' ' ' ILE . 41.0 pt -113.18 141.41 28.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.764 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -136.11 130.15 5.19 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 10.0 113.092 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.2 mp -128.01 116.45 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.585 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -121.86 120.22 33.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.011 0.434 . . . . 10.0 111.447 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.6 p -121.04 124.48 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.011 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.33 109.21 1.46 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.108 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.62 110.15 2.88 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.256 -0.738 . . . . 10.0 111.256 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -114.17 112.87 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.962 0.41 . . . . 10.0 110.024 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' K' ' 40' ' ' VAL . 58.3 t . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.447 ' HB3' ' HG3' ' J' ' 11' ' ' GLU . 46.5 tt0 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.15 109.54 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -113.53 118.58 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.767 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.55 110.84 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.318 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -122.88 126.17 46.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.68 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 16' ' ' LYS . . . . . 0.522 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 53.7 mtmt -128.72 127.74 42.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 10.0 111.695 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.84 110.6 16.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.493 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.414 HG13 HG23 ' J' ' 18' ' ' VAL . 2.6 t -121.05 117.61 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.661 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.53 129.36 52.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -111.86 114.73 27.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.373 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.73 113.05 17.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.743 0.306 . . . . 10.0 110.205 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -117.55 126.86 53.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.261 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.9 OUTLIER -120.02 156.36 31.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 179.32 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' L' ' 26' ' ' SER . 2.5 t -133.36 24.97 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 25' ' ' GLY . . . . . 0.563 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -70.87 85.88 0.37 Allowed Glycine 0 C--O 1.219 -0.786 0 CA-C-N 116.026 -0.533 . . . . 10.0 113.407 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 26' ' ' SER . . . . . 0.758 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 4.4 m -63.77 -15.02 57.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -138.97 112.99 8.58 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.699 -0.4 . . . . 10.0 111.47 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 90.1 mttt 57.82 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.16 64.4 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.16 -127.74 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 11.7 mt -122.35 104.59 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.393 . . . . 10.0 111.825 -177.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.623 HG12 HG22 ' J' ' 32' ' ' ILE . 14.1 pt -117.36 137.43 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -132.44 127.94 5.03 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.302 -0.951 . . . . 10.0 113.28 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.548 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 5.8 mp -123.57 118.14 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.58 123.52 45.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' J' ' 36' ' ' VAL . 3.8 t -118.34 115.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.786 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 37' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' C' ' 35' ' ' MET . . . -116.24 110.63 2.21 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.04 111.35 2.27 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.724 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.67 117.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.831 0.348 . . . . 10.0 110.536 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' J' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.126 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.038 0.447 . . . . 10.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.84 111.57 34.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.777 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 13' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' L' ' 15' ' ' GLN . 47.3 t-80 -114.98 118.85 34.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 10.0 111.119 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -121.3 104.01 9.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.427 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 15' ' ' GLN . . . . . 0.483 ' HB2' ' CE1' ' L' ' 13' ' ' HIS . 34.0 tt0 -115.4 126.61 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.567 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 16' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' M' ' 16' ' ' LYS . 5.9 mttt -131.98 126.84 34.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 10.0 111.644 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -115.61 114.05 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.229 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.4 t -120.73 117.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 10.0 110.298 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.41 128.5 49.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.852 0.358 . . . . 10.0 111.571 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -110.29 123.62 50.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.039 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.07 108.12 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.873 0.368 . . . . 10.0 110.144 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -114.07 119.92 38.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.467 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -113.55 154.75 26.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.701 -1.222 . . . . 10.0 107.701 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.85 11.08 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.126 0.488 . . . . 10.0 111.506 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -63.96 104.34 0.86 Allowed Glycine 0 C--O 1.216 -1.004 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.214 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 2.4 m -80.08 -0.15 34.48 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -148.27 111.89 5.04 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.2 -0.313 . . . . 10.0 111.515 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.679 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.1 mttt 61.41 97.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 114.111 1.152 . . . . 10.0 114.111 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.22 73.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.87 -114.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 33.7 mt -135.57 112.97 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.522 . . . . 10.0 111.976 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 pt -121.59 142.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.43 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.55 119.22 2.14 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.799 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' HB2' ' M' ' 34' ' ' LEU . 7.9 mp -117.75 112.77 20.88 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.28 112.55 22.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.154 0.502 . . . . 10.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.26 116.19 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.351 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.592 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -120.11 107.38 1.31 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.768 -0.729 . . . . 10.0 112.332 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.08 119.31 4.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -120.34 124.92 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 11.1 p . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.286 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 10.0 111.38 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.45 104.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -110.81 123.74 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 111.543 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -124.61 110.34 14.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.076 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -122.36 117.51 26.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 16' ' ' LYS . . . . . 0.482 ' HG2' ' HB2' ' L' ' 16' ' ' LYS . 48.3 mtpt -128.18 122.11 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 10.0 111.086 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.0 117.25 27.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 8.6 t -124.71 122.93 64.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.981 0.419 . . . . 10.0 111.183 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.448 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 8.1 m-85 -116.86 131.79 56.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.226 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.18 104.89 12.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.169 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.9 105.67 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.99 121.92 42.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.154 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -118.64 159.65 23.23 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.2 37.08 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.09 0.471 . . . . 10.0 109.85 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -58.9 174.23 3.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.606 -0.724 . . . . 10.0 113.94 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -145.16 -40.71 0.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.791 0.329 . . . . 10.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.11 122.71 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.1 tppp? 61.41 96.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -21.29 73.46 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 78.29 -120.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.4 mt -131.77 113.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 10.0 111.733 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.404 HG22 HG13 ' N' ' 32' ' ' ILE . 20.0 pt -123.01 141.62 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.085 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.9 127.47 4.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.454 -0.879 . . . . 10.0 113.095 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.406 ' HB2' ' HG ' ' L' ' 34' ' ' LEU . 6.4 mp -122.34 113.18 19.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.84 113.23 23.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.069 0.461 . . . . 10.0 111.334 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.46 112.66 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.09 109.54 2.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.774 -0.726 . . . . 10.0 112.194 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.98 114.35 2.79 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 23.1 t -116.77 117.62 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 11' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' O' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.988 0.423 . . . . 10.0 112.06 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.34 118.74 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.699 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -120.05 123.58 43.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.654 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.56 105.81 10.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.64 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -114.74 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.336 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.26 122.12 28.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.309 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.57 119.65 34.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.921 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.78 121.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.545 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.65 126.22 48.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.87 122.59 46.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.581 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.97 102.93 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -118.43 120.92 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.994 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -119.83 166.71 12.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.504 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 t -128.91 10.07 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.295 0.569 . . . . 10.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 124.87 37.08 Favored Glycine 0 C--O 1.22 -0.781 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.937 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 26' ' ' SER . . . . . 0.565 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 0.8 OUTLIER -103.97 -12.79 16.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.148 0.499 . . . . 10.0 111.995 -178.637 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -143.05 125.03 15.2 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.727 -0.608 . . . . 10.0 111.527 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 0.1 OUTLIER 57.85 93.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.957 0.786 . . . . 10.0 112.872 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.61 66.73 Favored Glycine 0 C--N 1.331 0.251 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.75 -117.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.826 0.85 . . . . 10.0 113.119 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 33.9 mt -136.35 109.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.989 0.423 . . . . 10.0 111.36 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.775 HG22 ' HB ' ' O' ' 32' ' ' ILE . 1.2 pt -126.8 131.34 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.87 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.97 131.63 7.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.019 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.59 105.82 12.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -108.76 117.52 34.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.063 0.459 . . . . 10.0 111.412 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.41 118.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.662 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.425 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -121.92 111.06 1.74 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.55 114.97 2.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.98 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 t -118.06 121.63 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 11' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' N' ' 11' ' ' GLU . 17.2 tt0 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.868 0.366 . . . . 10.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.37 116.73 47.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.705 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -119.49 118.79 32.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.492 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -120.54 113.61 20.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.484 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 15' ' ' GLN . . . . . 0.422 ' HG3' ' HB3' ' P' ' 15' ' ' GLN . 14.2 tt0 -121.19 119.19 31.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.14 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.01 118.56 24.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 111.723 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -116.28 119.61 36.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.886 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.1 t -127.86 125.27 64.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.848 0.356 . . . . 10.0 110.861 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -123.37 128.72 50.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.7 110.03 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.57 111.79 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 10.0 110.068 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 22' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' P' ' 22' ' ' GLU . 27.2 tt0 -130.89 127.06 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.842 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.2 137.42 40.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.846 0.355 . . . . 10.0 110.076 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -90.34 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.151 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 25' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -66.17 171.6 27.68 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.982 -0.627 . . . . 10.0 112.566 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -152.51 -48.2 0.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.098 0.475 . . . . 10.0 110.136 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.63 118.37 11.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.242 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.6 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 96.1 mttt 67.18 100.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.388 0.884 . . . . 10.0 113.388 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.54 -9.05 81.85 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.86 -141.79 0.06 Allowed 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 123.551 0.74 . . . . 10.0 112.393 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' P' ' 31' ' ' ILE . 29.6 mt -116.61 108.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.024 0.44 . . . . 10.0 111.358 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.775 ' HB ' HG22 ' N' ' 32' ' ' ILE . 63.6 mt -122.1 129.41 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.871 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.62 121.04 4.22 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.716 -0.754 . . . . 10.0 112.607 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.45 119.13 38.26 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 19.7 mmt -117.38 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.726 0.298 . . . . 10.0 110.774 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.448 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 6.7 t -107.69 107.4 22.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 37' ' ' GLY . . . . . 0.532 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -114.21 111.81 2.68 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.29 118.83 3.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.197 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.53 123.67 67.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.2 p . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.049 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.9 119.64 41.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.696 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -115.16 127.88 55.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.643 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -121.68 104.21 9.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.764 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLN . . . . . 0.422 ' HB3' ' HG3' ' O' ' 15' ' ' GLN . 48.2 tt0 -111.51 114.88 28.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.104 0.478 . . . . 10.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -116.48 130.91 57.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.984 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' P' ' 17' ' ' LEU . 7.5 tp -138.89 108.94 6.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.263 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 12.3 p -127.02 134.29 66.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.774 0.321 . . . . 10.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -130.05 144.69 51.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -120.96 111.74 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.99 118.17 27.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.469 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 22' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' O' ' 22' ' ' GLU . 0.1 OUTLIER -141.89 142.39 33.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.208 179.804 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -149.88 176.44 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 t -129.05 70.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 25' ' ' GLY . . . . . 0.435 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -91.39 75.5 1.52 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.166 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -57.3 -47.42 81.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -123.14 108.61 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.317 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt 67.3 96.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.741 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.36 -1.27 50.51 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.436 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.33 -174.28 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.611 0.764 . . . . 10.0 112.4 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 63.1 mt -87.61 113.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.205 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -120.41 131.85 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.29 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.26 121.46 3.53 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -117.49 104.56 11.2 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.443 ' HG3' ' HB2' ' O' ' 35' ' ' MET . 1.9 mpt? -104.79 119.09 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.153 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -109.11 125.36 66.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.624 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.41 112.24 1.75 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.681 -0.771 . . . . 10.0 111.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.15 115.3 2.15 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.256 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.444 HG21 ' HA3' ' H' ' 33' ' ' GLY . 26.6 t -126.86 133.96 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 14.9 p . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.107 -0.949 . . . . 10.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.418 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 23.1 t . . . . . 0 C--O 1.231 0.091 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -121.34 105.8 10.87 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -114.87 96.08 5.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.091 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -118.95 116.02 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -131.52 127.77 37.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.948 0.404 . . . . 10.0 111.667 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.64 118.91 29.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.672 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -128.25 120.04 52.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.351 . . . . 10.0 110.947 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -114.56 124.3 51.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.55 99.86 11.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.889 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.7 97.76 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.97 0.415 . . . . 10.0 110.955 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.774 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 8.2 tp10 -81.21 147.53 29.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.501 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.1 OUTLIER -143.19 128.36 18.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.31 . . . . 10.0 111.553 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 23' ' ' ASP . 4.1 t -127.24 25.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.614 0.721 . . . . 10.0 109.361 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -71.35 104.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.546 -0.752 . . . . 10.0 112.741 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.91 -30.79 45.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -141.77 119.62 11.9 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 63.1 mttp 61.23 101.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 114.841 1.422 . . . . 10.0 114.841 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -25.68 66.23 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.353 -1.099 . . . . 10.0 110.353 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.01 -130.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.01 129.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.228 0.537 . . . . 10.0 112.19 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -136.68 134.18 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.011 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.559 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -128.78 105.73 0.72 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.945 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.99 97.94 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.532 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.5 mpt? -105.79 113.55 27.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.055 0.455 . . . . 10.0 112.052 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 132.87 59.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.919 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.62 0.25 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.047 -0.597 . . . . 10.0 111.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.46 85.92 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.579 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 ' HA3' ' I' ' 33' ' ' GLY . 7.2 t -90.28 101.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.907 -179.712 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.64 0.257 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.418 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 33.8 t -111.56 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.085 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -115.19 116.24 28.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.819 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -122.14 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.874 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -127.77 116.85 20.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.035 0.445 . . . . 10.0 110.413 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -124.86 118.61 26.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.878 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.85 118.78 37.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.593 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.6 t -127.26 118.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.58 132.55 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.995 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -111.25 114.25 27.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.88 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.6 104.06 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.141 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.774 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 4.2 tt0 -99.75 117.66 34.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.53 144.24 38.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.433 0.458 . . . . 10.0 110.522 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.666 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.1 t -131.16 24.42 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.501 0.667 . . . . 10.0 109.362 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.691 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -69.52 77.04 0.37 Allowed Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.631 -0.713 . . . . 10.0 113.271 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -59.92 -38.86 83.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.04 103.48 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.923 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 95.2 mttt 63.91 105.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.819 1.414 . . . . 10.0 114.819 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -19.6 79.76 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 110.711 -0.956 . . . . 10.0 110.711 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -102.09 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.683 0.793 . . . . 10.0 112.826 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 81.4 mt -139.98 104.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.105 0.478 . . . . 10.0 111.236 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.73 HG22 HG12 ' C' ' 32' ' ' ILE . 44.8 pt -116.79 131.34 69.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.222 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.73 134.42 7.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.218 -0.991 . . . . 10.0 113.498 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.8 mp -131.19 122.54 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.5 mpt? -120.75 118.55 30.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.226 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.57 103.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.068 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.89 114.23 4.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 114.04 1.96 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.832 -0.699 . . . . 10.0 111.803 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 t -113.68 107.79 23.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.732 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' D' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.45 110.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.635 -0.257 . . . . 10.0 110.757 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -113.94 120.71 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.629 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.81 105.44 8.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.595 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.429 ' HG3' ' HB3' ' D' ' 15' ' ' GLN . 19.3 tt0 -118.34 125.55 50.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.958 0.408 . . . . 10.0 110.775 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.54 ' HB2' ' HG3' ' D' ' 16' ' ' LYS . 45.7 mtpt -127.47 123.57 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.941 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.31 110.97 17.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.806 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 5.8 t -123.52 118.15 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.493 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -121.16 128.06 52.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.232 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -107.59 122.05 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.321 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 104.97 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.42 118.45 36.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -109.28 155.09 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.338 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.3 t -134.7 26.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 10.0 109.789 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.691 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.06 75.11 0.34 Allowed Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.691 -0.686 . . . . 10.0 113.99 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 13.9 m -58.1 -23.53 55.15 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -129.69 99.69 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.661 -0.245 . . . . 10.0 111.22 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.0 mttt 65.64 107.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 114.887 1.439 . . . . 10.0 114.887 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.31 -21.08 79.4 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 110.13 -1.188 . . . . 10.0 110.13 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.26 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 25.6 mt -133.91 105.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.057 0.456 . . . . 10.0 111.414 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.73 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -117.21 139.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.368 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.55 3.06 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.433 -0.889 . . . . 10.0 112.84 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.451 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.2 mp -118.46 110.58 17.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.87 120.6 42.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.306 0.574 . . . . 10.0 111.701 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -112.19 124.44 68.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.266 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.71 105.96 0.77 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.004 -0.617 . . . . 10.0 112.114 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.11 115.19 3.18 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.783 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.69 117.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.591 179.784 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.635 ' HB3' ' HG3' ' C' ' 11' ' ' GLU . 7.8 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.934 0.397 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' D' ' 14' ' ' HIS . 4.6 t -114.42 114.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.311 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' HIS . . . . . 0.427 ' CE1' HG21 ' E' ' 40' ' ' VAL . 76.4 t60 -114.65 119.5 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.226 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 14' ' ' HIS . . . . . 0.44 ' HD2' HG12 ' D' ' 12' ' ' VAL . 14.4 m-70 -121.05 110.96 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.384 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.429 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 19.7 tt0 -122.6 120.22 33.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.242 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' C' ' 16' ' ' LYS . 1.5 mptt -126.17 122.6 36.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 10.0 111.627 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.38 114.92 25.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.47 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 2.8 t -127.56 119.72 52.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.898 0.38 . . . . 10.0 110.782 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.89 133.04 54.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -115.66 112.83 22.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.64 108.13 13.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.821 0.343 . . . . 10.0 110.189 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.51 124.28 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.126 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.4 OUTLIER -116.36 162.32 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.696 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.0 t -140.73 29.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.659 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -73.1 77.92 0.82 Allowed Glycine 0 C--O 1.218 -0.848 0 CA-C-N 115.913 -0.585 . . . . 10.0 113.887 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.3 OUTLIER -54.56 -25.0 23.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -134.62 111.55 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 96.4 mttt 62.44 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.6 77.69 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -128.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.552 0.741 . . . . 10.0 112.899 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' E' ' 31' ' ' ILE . 65.7 mt -121.27 117.46 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.448 0.642 . . . . 10.0 112.167 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.461 HG22 HG12 ' E' ' 32' ' ' ILE . 16.4 pt -124.64 140.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.97 120.53 2.81 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.985 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.94 115.32 28.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.528 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 17.5 mmt -116.16 109.23 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 10.0 110.995 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.32 109.75 29.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.942 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.92 115.15 3.19 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.366 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.66 118.26 3.15 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.958 -0.639 . . . . 10.0 111.688 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 t -115.71 119.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.68 0.276 . . . . 10.0 110.337 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.383 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.146 0.498 . . . . 10.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 14.0 t -114.01 117.92 56.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.474 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -113.57 122.35 46.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.714 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -123.07 105.63 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.947 0.403 . . . . 10.0 110.591 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -115.9 120.14 38.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.627 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 91.0 mttt -127.88 124.32 37.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.03 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.85 113.99 19.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.256 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 19.3 t -123.55 126.02 72.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.665 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.527 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.96 115.43 29.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.63 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.68 102.31 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.994 0.426 . . . . 10.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -111.69 117.81 33.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.42 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -111.74 166.81 10.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.948 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -132.51 2.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.483 . . . . 10.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' F' ' 25' ' ' GLY . . . -54.42 109.61 1.27 Allowed Glycine 0 C--O 1.215 -1.042 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.001 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.547 ' HA ' ' HA2' ' D' ' 25' ' ' GLY . 1.2 m -96.71 -10.64 26.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -139.38 110.17 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 10.0 111.832 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 32.9 tttt 61.24 94.07 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -21.37 72.32 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.92 -0.872 . . . . 10.0 110.92 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.73 -104.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.869 1.062 . . . . 10.0 113.869 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' D' ' 31' ' ' ILE . 9.9 mm -137.27 117.04 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.333 . . . . 10.0 111.569 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.461 HG12 HG22 ' D' ' 32' ' ' ILE . 5.4 pt -127.6 139.37 52.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.15 123.88 3.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.29 -0.957 . . . . 10.0 113.519 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 80.8 mt -116.46 112.77 21.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.437 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -116.71 111.5 19.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.061 0.458 . . . . 10.0 111.872 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.17 118.32 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.552 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 106.36 1.04 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.193 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.94 117.6 3.98 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.761 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.48 122.15 67.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.896 0.379 . . . . 10.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.78 128.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 10.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -122.57 123.44 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -119.95 107.01 12.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.466 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -119.47 112.56 19.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.0 0.429 . . . . 10.0 109.982 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.627 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 48.0 mtmt -125.51 114.1 18.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 10.0 111.782 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.41 129.74 55.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.711 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.543 HG13 HG13 ' G' ' 18' ' ' VAL . 9.6 p -140.22 123.09 16.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.294 0.569 . . . . 10.0 111.351 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.4 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 5.5 m-85 -116.9 135.95 53.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.483 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -114.71 110.47 19.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.89 117.99 30.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -131.7 122.71 26.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.017 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.29 173.24 7.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' G' ' 25' ' ' GLY . 2.6 t -137.41 10.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.754 0.312 . . . . 10.0 110.414 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -61.51 89.73 0.05 OUTLIER Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.439 -0.41 . . . . 10.0 112.793 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.421 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.0 OUTLIER -68.42 -15.24 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.36 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -137.46 122.01 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 20.2 tptm 62.43 89.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.22 71.21 Favored Glycine 0 N--CA 1.459 0.228 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.548 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.29 -119.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 123.585 0.754 . . . . 10.0 112.786 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 56.7 mt -134.2 107.31 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 10.0 111.752 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.567 HG22 HG12 ' G' ' 32' ' ' ILE . 47.1 pt -121.35 138.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.495 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 134.7 7.22 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.828 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.468 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -124.09 110.84 15.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 1.9 mpt? -110.04 116.31 31.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.138 0.494 . . . . 10.0 110.976 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -112.13 113.6 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.773 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.5 3.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.029 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.3 110.95 1.41 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.85 -0.69 . . . . 10.0 112.22 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -114.37 121.44 66.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.687 0.28 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -110.45 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -113.58 120.37 40.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -125.81 109.36 12.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.467 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -122.55 122.41 38.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.628 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 44.2 mtmt -128.13 123.74 35.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.097 0.475 . . . . 10.0 111.646 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.71 119.83 36.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.996 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' H' ' 18' ' ' VAL . 9.4 t -127.3 123.66 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.525 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.0 131.06 53.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.01 115.03 28.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.407 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.67 104.75 8.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -129.07 122.9 30.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.23 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -131.39 154.72 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.33 66.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.707 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' H' ' 26' ' ' SER . . . -69.21 174.64 33.74 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.081 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.7 -47.34 0.08 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -137.39 114.88 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.222 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 82.7 mttt 69.6 106.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.941 0.775 . . . . 10.0 113.075 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.38 -8.57 86.1 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.419 -1.073 . . . . 10.0 110.419 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 71.13 -142.52 0.06 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.478 0.711 . . . . 10.0 111.926 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.839 ' HB ' HG12 ' H' ' 31' ' ' ILE . 70.0 mt -122.07 103.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 10.0 111.52 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.593 HG22 HG12 ' H' ' 32' ' ' ILE . 41.1 pt -118.46 136.22 56.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.504 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.18 129.79 6.42 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.402 -0.904 . . . . 10.0 112.934 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 7.1 mp -106.26 124.42 49.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.508 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 21.5 mmt -120.54 109.43 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.527 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 15.2 t -108.96 108.88 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.726 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -113.05 104.88 1.6 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.711 -0.756 . . . . 10.0 112.693 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.42 121.58 5.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.951 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.31 123.43 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 92.0 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.527 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.72 116.95 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.696 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -111.89 106.91 15.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.54 116.44 30.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -138.79 130.02 26.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.908 0.385 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 9.5 ptmt -137.32 139.58 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.877 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 118.36 23.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.817 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 59.2 t -128.32 123.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.631 -0.259 . . . . 10.0 110.324 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.18 141.49 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 10.0 110.94 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.79 118.41 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.089 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.15 103.21 8.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.602 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.04 137.89 54.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.584 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.23 -172.84 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.179 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.13 54.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.163 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.94 76.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.45 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 26' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' G' ' 25' ' ' GLY . 16.3 m -62.79 -31.89 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -123.18 104.12 8.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.658 0.266 . . . . 10.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.614 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 37.3 ttpt 64.18 98.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.43 -0.804 . . . . 10.0 112.129 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.36 4.42 41.71 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.72 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.39 -172.59 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.149 0.579 . . . . 10.0 112.441 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.839 HG12 ' HB ' ' G' ' 31' ' ' ILE . 74.2 mt -105.89 105.01 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.593 HG12 HG22 ' G' ' 32' ' ' ILE . 46.7 pt -126.79 158.3 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.115 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.36 110.41 0.8 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.447 -0.882 . . . . 10.0 113.257 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.21 99.92 12.3 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 9.8 ptp -114.95 131.31 56.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.205 0.526 . . . . 10.0 112.153 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.4 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 14.1 p -131.92 140.6 47.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.88 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.63 132.98 6.41 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 10.0 112.2 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.86 116.22 1.11 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.397 -0.681 . . . . 10.0 111.397 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.92 122.65 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 2.3 m . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.297 -0.858 . . . . 10.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -94.17 113.06 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.593 ' HE1' HG11 ' J' ' 40' ' ' VAL . 36.6 t60 -114.72 103.67 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.165 0.507 . . . . 10.0 112.044 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.89 97.57 6.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.464 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -131.39 120.02 22.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.927 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HE2' ' J' ' 16' ' ' LYS . 16.8 ptpt -141.43 137.64 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 10.0 111.558 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.21 126.04 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -123.57 115.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.35 111.03 20.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -87.59 110.61 20.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.788 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.04 99.63 8.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.833 0.349 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.835 ' HB3' ' HA ' ' J' ' 22' ' ' GLU . 9.3 tp10 -87.0 143.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -147.8 134.4 19.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.749 0.309 . . . . 10.0 111.22 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.784 ' CG2' ' HA ' ' J' ' 24' ' ' VAL . 18.1 m -134.42 32.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.515 0.674 . . . . 10.0 110.147 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' J' ' 26' ' ' SER . . . -72.43 108.42 2.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.225 -0.898 . . . . 10.0 112.075 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -67.96 -39.49 83.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.577 0.227 . . . . 10.0 110.969 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -151.52 138.37 18.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 74.3 mttt 63.34 86.08 0.12 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-N 114.197 -1.365 . . . . 10.0 113.86 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.61 -26.2 73.55 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.42 -149.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.4 mt -84.58 138.31 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -144.66 136.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.439 -0.801 . . . . 10.0 109.872 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -128.5 111.68 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.51 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -114.47 100.3 8.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.652 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.2 mpt? -106.82 118.29 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 10.0 111.623 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 t -114.12 119.62 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.784 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.64 84.59 0.35 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.808 -0.71 . . . . 10.0 111.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.96 73.85 0.71 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.217 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.559 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.6 t -75.87 96.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.501 . . . . 10.0 110.406 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' J' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.73 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.93 113.68 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.438 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -113.17 116.85 30.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.688 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.82 109.1 13.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -128.6 121.24 28.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.96 0.41 . . . . 10.0 110.928 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.51 ' HE2' ' HD2' ' I' ' 16' ' ' LYS . 95.4 mttt -125.53 123.64 39.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.47 109.98 18.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 t -121.51 117.09 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.933 0.397 . . . . 10.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -118.46 132.63 56.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.33 117.75 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.899 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.61 105.44 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.842 0.354 . . . . 10.0 110.294 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' I' ' 22' ' ' GLU . 13.3 tt0 -102.49 117.76 35.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.612 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.541 ' OD1' ' HA ' ' I' ' 23' ' ' ASP . 0.0 OUTLIER -107.69 144.27 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.581 0.551 . . . . 10.0 110.989 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.784 ' HA ' ' CG2' ' I' ' 24' ' ' VAL . 17.5 t -125.85 18.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 10.0 110.186 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.623 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 80.31 0.11 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.774 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.535 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 1.7 m -68.25 -22.25 64.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -140.98 114.66 8.92 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.347 -0.221 . . . . 10.0 111.079 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 23.4 mmtp 63.64 95.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.97 -18.19 77.54 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.671 -0.972 . . . . 10.0 110.671 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.74 -86.6 0.03 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.863 0.865 . . . . 10.0 112.947 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.3 tt -165.6 104.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.898 0.856 . . . . 10.0 112.198 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.661 HG22 HG12 ' K' ' 32' ' ' ILE . 46.8 pt -113.38 138.68 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.469 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.04 130.8 5.88 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.383 -0.913 . . . . 10.0 113.212 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 5.8 mp -129.04 118.88 23.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.652 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.2 mpt? -123.71 115.54 21.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.964 0.411 . . . . 10.0 111.2 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 p -113.78 114.58 47.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.29 0.567 . . . . 10.0 110.803 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 122.73 5.65 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.71 106.66 0.81 Allowed Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.439 -0.664 . . . . 10.0 111.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -101.92 104.29 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.593 HG11 ' HE1' ' I' ' 13' ' ' HIS . 59.1 t . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.748 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' L' ' 11' ' ' GLU . 11.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.75 0.309 . . . . 10.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.07 113.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.026 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -111.73 115.46 29.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -121.04 102.13 8.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.545 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -117.52 123.84 47.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.927 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -127.15 126.54 43.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.198 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -120.32 111.73 18.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.577 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.15 116.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 10.0 110.624 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -120.76 129.84 53.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.076 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -109.05 117.98 35.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.33 103.79 7.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.021 0.438 . . . . 10.0 110.066 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.84 120.12 40.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.997 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.73 154.94 24.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' L' ' 26' ' ' SER . 4.3 t -134.59 25.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.702 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 25' ' ' GLY . . . . . 0.653 ' HA2' ' O ' ' L' ' 25' ' ' GLY . . . -69.99 75.74 0.46 Allowed Glycine 0 C--O 1.223 -0.571 0 CA-C-N 115.91 -0.586 . . . . 10.0 113.46 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 26' ' ' SER . . . . . 0.7 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 10.0 m -56.18 -32.06 64.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -126.49 107.73 10.52 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.484 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 89.6 mttt 64.49 100.27 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.73 -23.12 78.43 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -119.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 12.9 mt -128.14 104.73 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.661 HG12 HG22 ' J' ' 32' ' ' ILE . 11.9 pt -116.18 140.15 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 121.019 -0.272 . . . . 10.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.38 122.48 3.12 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.343 -0.932 . . . . 10.0 113.022 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.454 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.2 mp -119.25 111.48 18.27 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.86 123.21 48.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.268 0.556 . . . . 10.0 111.601 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 5.9 t -114.55 123.85 70.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.328 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.04 105.77 0.82 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.006 -0.616 . . . . 10.0 112.211 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.37 113.92 2.93 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.949 -0.643 . . . . 10.0 111.66 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 t -112.78 117.56 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 10.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' L' ' 40' ' ' VAL . 24.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 11' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' K' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.708 0.29 . . . . 10.0 110.987 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.53 107.19 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -110.18 117.52 33.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.935 0.397 . . . . 10.0 111.502 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 14' ' ' HIS . . . . . 0.453 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 7.9 m-70 -120.98 106.63 11.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.039 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -120.34 120.47 36.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.364 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 16' ' ' LYS . . . . . 0.453 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -126.48 122.61 35.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 10.0 111.183 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.56 114.35 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.363 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 3.1 t -126.02 119.39 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.876 0.369 . . . . 10.0 110.942 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -121.9 130.89 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.709 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.95 112.03 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.757 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.58 111.75 18.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 10.0 110.066 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.0 121.9 44.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.043 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 23' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' L' ' 25' ' ' GLY . 0.6 OUTLIER -114.91 161.96 17.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.857 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.1 t -139.75 30.37 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 25' ' ' GLY . . . . . 0.653 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -73.65 79.41 0.83 Allowed Glycine 0 C--O 1.22 -0.747 0 CA-C-N 115.959 -0.564 . . . . 10.0 113.974 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 26' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.7 OUTLIER -53.11 -31.25 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.414 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -132.84 116.55 16.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 83.5 mttt 62.27 96.75 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -24.72 76.69 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.52 -122.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.555 0.946 . . . . 10.0 113.555 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 38.5 mt -126.75 115.09 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.369 0.604 . . . . 10.0 112.228 -177.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.492 HG22 HG12 ' M' ' 32' ' ' ILE . 22.5 pt -123.17 138.58 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.995 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.12 123.7 4.51 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.83 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.0 115.63 24.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.19 108.63 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.17 0.509 . . . . 10.0 111.325 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 t -106.74 108.31 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.821 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.528 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.09 113.81 3.15 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.585 -0.817 . . . . 10.0 112.368 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.15 120.44 4.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.046 -0.597 . . . . 10.0 111.743 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -119.42 124.65 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.069 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.083 0.468 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -111.88 113.83 45.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.478 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -111.48 118.93 37.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.589 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -119.49 104.37 10.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.78 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -113.43 118.88 35.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 16' ' ' LYS . . . . . 0.434 ' HD2' ' HE2' ' N' ' 16' ' ' LYS . 88.1 mttt -128.95 117.46 21.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.549 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.89 118.42 31.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.327 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 41.2 t -127.03 124.15 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.637 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.432 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 7.6 m-85 -119.79 130.46 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.992 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -108.24 116.66 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.149 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.6 100.12 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 10.0 110.127 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.09 119.38 39.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.736 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.73 164.65 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.852 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' N' ' 24' ' ' VAL . 3.5 t -131.7 5.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.029 0.442 . . . . 10.0 110.333 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -53.63 106.82 0.5 Allowed Glycine 0 C--O 1.213 -1.164 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.504 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 26' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 0.9 OUTLIER -87.58 -22.1 24.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.82 120.3 17.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' N' ' 28' ' ' LYS . 0.5 OUTLIER 61.82 90.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.188 -0.915 . . . . 10.0 113.204 178.749 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.6 -24.06 72.4 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 111.142 -0.783 . . . . 10.0 111.142 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.793 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 76.62 -115.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 3.7 mp -133.56 119.06 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 10.0 112.003 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.492 HG12 HG22 ' L' ' 32' ' ' ILE . 7.4 pt -127.01 144.0 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.883 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.14 125.02 3.73 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -117.59 108.56 15.62 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.36 113.88 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.442 . . . . 10.0 111.923 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 t -111.0 118.99 58.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.0 106.97 1.12 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.72 -0.752 . . . . 10.0 112.276 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.2 116.09 3.62 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.91 -0.662 . . . . 10.0 111.735 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.65 119.32 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.194 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.578 0.227 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.81 124.82 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.304 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 13' ' ' HIS . . . . . 0.452 ' CE1' HG21 ' O' ' 40' ' ' VAL . 60.3 t60 -124.88 120.25 31.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.62 109.77 16.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -120.75 113.63 20.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 16' ' ' LYS . . . . . 0.434 ' HE2' ' HD2' ' M' ' 16' ' ' LYS . 39.6 mttt -127.09 120.75 29.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 10.0 111.991 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.25 125.29 50.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.747 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -131.01 122.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.438 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HG21 ' P' ' 36' ' ' VAL . 8.7 m-85 -119.85 130.02 54.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.1 112.57 24.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.099 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.46 110.91 16.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -127.64 123.64 36.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.416 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.45 172.62 7.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.3 t -136.89 10.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 10.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -61.01 90.59 0.05 OUTLIER Glycine 0 C--O 1.22 -0.75 0 C-N-CA 121.31 -0.472 . . . . 10.0 112.839 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 1.0 OUTLIER -71.51 -4.16 25.18 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -146.63 118.45 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.991 -0.443 . . . . 10.0 111.981 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.793 ' HD2' ' HB2' ' M' ' 30' ' ' ALA . 7.6 tptp 62.8 91.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.32 -19.79 72.76 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.621 -0.8 . . . . 10.0 111.388 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.23 -113.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' O' ' 31' ' ' ILE . 52.2 mt -140.19 107.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 10.0 111.485 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -123.55 136.52 59.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.703 0.287 . . . . 10.0 110.6 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 135.85 8.3 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 10.0 112.775 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.2 mp -124.05 110.71 15.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -109.97 115.68 30.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 10.0 110.958 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -111.45 113.63 44.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.985 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.61 114.77 3.44 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.013 -0.613 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.41 110.01 1.35 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.193 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.54 123.26 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.014 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.797 0.332 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.41 101.75 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -104.42 122.55 45.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.297 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -128.33 111.27 13.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.054 0.454 . . . . 10.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -121.43 119.04 30.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.373 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -124.48 118.77 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.524 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.92 119.54 35.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.132 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 13.9 t -129.41 125.22 61.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -123.54 132.17 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.954 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -111.15 114.72 28.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.488 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.17 105.97 9.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -130.66 125.75 34.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.342 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -136.22 138.57 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' P' ' 24' ' ' VAL . 0.0 OUTLIER -92.97 63.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.925 0.393 . . . . 10.0 111.499 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 25' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' N' ' 24' ' ' VAL . . . -65.1 174.38 16.3 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.032 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -150.65 -44.62 0.12 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.239 0.542 . . . . 10.0 109.959 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.097 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.56 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 81.6 mttt 68.7 101.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.141 0.793 . . . . 10.0 113.141 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.77 -9.83 86.36 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 70.77 -140.89 0.06 Allowed 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 123.317 0.647 . . . . 10.0 112.096 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.705 HG12 ' HB ' ' N' ' 31' ' ' ILE . 79.0 mt -120.58 107.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.484 0.659 . . . . 10.0 111.863 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.652 HG23 HG23 ' P' ' 32' ' ' ILE . 22.4 mt -116.39 133.31 63.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.252 -0.886 . . . . 10.0 109.629 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.43 119.49 3.08 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.494 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.487 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -101.92 122.27 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.47 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.6 mmt -119.59 107.42 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.669 0.271 . . . . 10.0 110.701 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.432 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 12.1 t -106.91 108.4 25.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 37' ' ' GLY . . . . . 0.508 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -110.5 102.26 1.49 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.508 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.66 117.29 3.91 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.087 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 12.7 t -122.15 121.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.4 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.593 0.235 . . . . 10.0 111.216 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.348 -0.242 . . . . 10.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.1 138.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.089 0.471 . . . . 10.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -127.49 104.01 7.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.66 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.73 98.49 8.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.52 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -111.3 130.56 55.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.826 0.346 . . . . 10.0 110.557 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -129.86 127.93 41.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.922 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 tp -132.84 121.43 22.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.125 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.9 p -141.85 136.87 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.063 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -136.34 141.71 43.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.778 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -116.07 120.94 40.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.79 110.32 10.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.987 0.422 . . . . 10.0 111.147 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -126.92 148.77 50.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.68 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.7 -174.31 4.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.571 ' HA ' HG23 ' O' ' 24' ' ' VAL . 3.1 m -139.47 47.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.942 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 25' ' ' GLY . . . . . 0.425 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -78.96 70.88 2.68 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.784 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -39.35 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 10.0 110.972 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -126.9 109.43 11.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.064 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 28' ' ' LYS . . . . . 0.548 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 9.6 ttmt 65.83 99.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.986 0.803 . . . . 10.0 112.597 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.52 0.19 61.18 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.294 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.75 -171.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.349 0.66 . . . . 10.0 112.657 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.498 HD12 ' HB ' ' O' ' 31' ' ' ILE . 13.9 mm -92.17 111.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.652 HG23 HG23 ' O' ' 32' ' ' ILE . 5.7 tt -134.37 137.32 51.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.022 0.439 . . . . 10.0 110.917 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.99 130.16 7.04 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.506 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.42 102.56 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -98.45 118.82 35.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.898 0.38 . . . . 10.0 111.863 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 36' ' ' VAL . . . . . 0.451 HG21 ' HZ ' ' N' ' 19' ' ' PHE . 25.8 t -117.2 130.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 37' ' ' GLY . . . . . 0.502 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -135.0 128.05 4.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.123 -1.037 . . . . 10.0 112.824 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.13 114.51 0.81 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.252 -0.739 . . . . 10.0 111.252 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 30.8 t -125.31 121.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.772 0.286 . . . . 10.0 110.48 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 19.2 t . . . . . 0 N--CA 1.457 -0.1 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -107.71 112.64 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.699 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -121.16 106.67 11.75 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.15 128.02 47.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.234 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HB2' ' HD3' ' B' ' 16' ' ' LYS . 83.7 mttt -135.8 129.01 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.924 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -133.38 128.9 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.621 0.724 . . . . 10.0 112.108 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.38 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.407 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -87.9 100.12 12.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.766 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.8 102.26 11.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.725 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.33 117.51 31.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.3 143.94 44.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.034 0.445 . . . . 10.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 23' ' ' ASP . 2.9 t -124.02 32.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.663 0.744 . . . . 10.0 109.072 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.656 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -73.38 88.11 0.6 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.7 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -20.63 55.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -141.95 109.14 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.668 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 91.6 mttt 63.02 96.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.23 -23.61 77.89 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.68 -127.39 0.06 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' HB ' HG12 ' B' ' 31' ' ' ILE . 28.3 mm -109.86 135.91 47.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.019 0.438 . . . . 10.0 111.557 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.12 141.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.856 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -137.16 119.45 1.91 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.446 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.4 mt -116.27 101.36 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.444 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.6 mpt? -106.45 101.42 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.941 0.401 . . . . 10.0 111.829 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.37 112.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.755 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.29 90.71 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.036 -0.602 . . . . 10.0 112.486 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.42 83.3 0.58 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.009 -0.615 . . . . 10.0 111.605 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG21 ' HA3' ' I' ' 33' ' ' GLY . 25.7 t -82.76 109.33 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.892 0.377 . . . . 10.0 110.641 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.7 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.425 0.155 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.518 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 18.7 t -113.84 118.14 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 10.0 110.802 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -120.57 118.9 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.566 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -124.28 108.4 12.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.745 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -120.62 123.01 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.384 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.552 ' HD3' ' HB2' ' A' ' 16' ' ' LYS . 3.8 tppp? -125.2 120.18 30.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.248 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.601 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -114.1 108.39 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.816 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' C' ' 18' ' ' VAL . 2.3 m -119.25 111.22 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 10.0 110.878 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -115.28 127.07 55.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -111.07 110.46 21.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.24 107.99 14.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.923 0.392 . . . . 10.0 110.376 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.75 120.03 40.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.512 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.75 148.35 31.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.656 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.5 t -129.06 26.44 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 10.0 109.538 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.656 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -68.25 78.02 0.23 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.879 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -64.29 -25.84 68.23 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.437 0.295 . . . . 10.0 111.747 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -136.55 108.86 7.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.69 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 79.0 mttt 63.96 103.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 114.319 1.229 . . . . 10.0 114.319 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.07 -19.28 79.95 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 111.071 -0.812 . . . . 10.0 111.071 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.59 -107.02 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.739 0.815 . . . . 10.0 112.939 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 96.6 mt -140.28 105.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.348 0.594 . . . . 10.0 111.363 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.677 HG22 HG12 ' C' ' 32' ' ' ILE . 41.2 pt -120.16 136.66 56.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.299 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.68 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -138.31 135.99 7.81 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.152 -1.023 . . . . 10.0 113.401 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.0 mp -127.47 122.18 32.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.6 mpt? -117.96 115.48 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 10.0 111.116 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.85 106.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.58 110.85 2.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.772 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.32 116.27 2.63 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.541 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -116.35 112.67 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.645 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.63 0.252 . . . . 10.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 t -121.76 116.63 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.047 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -117.59 121.51 41.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -121.69 111.1 16.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.107 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -123.76 119.63 30.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 10.0 110.743 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -124.99 124.08 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.361 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.451 HD13 ' HG ' ' B' ' 17' ' ' LEU . 5.4 mp -114.19 108.44 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.706 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.476 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.7 t -114.79 113.14 42.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -123.7 126.63 46.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 10.0 111.419 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -112.9 125.39 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.584 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.47 100.69 5.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -102.5 111.16 23.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.224 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -104.29 154.22 20.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.742 0.651 . . . . 10.0 109.577 179.516 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.8 t -133.47 27.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.315 0.579 . . . . 10.0 109.48 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.628 ' HA2' ' O ' ' D' ' 25' ' ' GLY . . . -69.07 75.55 0.33 Allowed Glycine 0 C--O 1.225 -0.438 0 CA-C-N 115.635 -0.711 . . . . 10.0 113.846 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.677 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 29.1 m -56.51 -34.08 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -124.5 106.19 9.98 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mttt 65.01 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.374 1.25 . . . . 10.0 114.374 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.07 -17.73 74.02 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.365 -1.094 . . . . 10.0 110.365 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.77 -117.57 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' B' ' 31' ' ' ILE . 36.8 mt -132.35 107.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 10.0 111.852 -178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.677 HG12 HG22 ' B' ' 32' ' ' ILE . 12.0 pt -117.5 139.94 42.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.375 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.32 124.92 3.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -119.54 107.55 13.43 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -111.5 118.87 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.313 0.577 . . . . 10.0 111.628 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 t -112.68 129.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.453 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.76 103.78 0.6 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.018 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.06 110.82 2.59 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.962 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.45 112.28 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.516 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 7.0 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.773 0.321 . . . . 10.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.01 116.7 50.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.431 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -117.67 123.21 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.542 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -122.56 102.56 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.16 121.49 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.171 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' HE2' ' E' ' 16' ' ' LYS . 63.2 mttp -127.84 120.79 28.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.118 0.485 . . . . 10.0 111.789 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' E' ' 17' ' ' LEU . 4.0 mm? -108.55 120.43 42.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.324 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 0.2 OUTLIER -128.51 111.55 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.367 . . . . 10.0 110.658 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -122.43 127.19 49.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.89 116.64 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.26 114.74 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 10.0 110.403 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -112.27 121.94 46.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.3 OUTLIER -116.25 158.49 23.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.522 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.9 t -139.3 23.01 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.628 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -69.97 81.47 0.34 Allowed Glycine 0 C--O 1.221 -0.708 0 CA-C-N 115.985 -0.552 . . . . 10.0 113.516 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 14.6 m -59.44 -23.18 62.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -134.0 108.0 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.776 0.287 . . . . 10.0 111.776 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' E' ' 28' ' ' LYS . 91.2 mttt 66.93 104.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 114.135 1.161 . . . . 10.0 114.135 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -17.07 80.28 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.138 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -132.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 46.6 mt -123.7 105.64 15.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 10.0 111.818 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.547 ' HB ' HG12 ' E' ' 32' ' ' ILE . 28.5 pt -118.15 141.3 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.646 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 131.11 6.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.422 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.23 119.32 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.538 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.3 mmt -117.56 110.53 18.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.545 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 t -109.77 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.4 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -111.33 116.94 4.36 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.56 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.19 119.08 3.31 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.637 -0.585 . . . . 10.0 111.637 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -117.2 120.68 65.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.981 0.419 . . . . 10.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.239 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.78 111.79 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.772 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -116.15 120.76 40.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.844 0.354 . . . . 10.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.91 114.89 24.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.337 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.57 116.5 23.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 10.0 110.211 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.42 ' HE2' ' HD2' ' D' ' 16' ' ' LYS . 95.0 mttt -124.78 128.22 48.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.183 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.569 ' HB2' HD13 ' D' ' 17' ' ' LEU . 5.0 mp -126.35 107.8 10.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.014 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 11.5 t -114.24 119.39 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.681 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.426 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 12.9 m-85 -120.27 129.73 54.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.309 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -111.43 117.68 33.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.535 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.13 101.26 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -110.46 123.44 49.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.933 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.33 161.76 25.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.788 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' F' ' 26' ' ' SER . 1.9 t -136.18 28.64 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.845 0.355 . . . . 10.0 110.23 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.579 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -69.73 79.46 0.35 Allowed Glycine 0 C--O 1.222 -0.655 0 CA-C-N 116.335 -0.393 . . . . 10.0 113.024 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.4 m -53.7 -27.99 31.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.078 0.769 . . . . 10.0 113.078 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -129.08 106.69 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.936 -0.306 . . . . 10.0 111.173 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 80.5 mttt 68.55 100.62 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.179 1.177 . . . . 10.0 114.179 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.26 -24.05 74.84 Favored Glycine 0 CA--C 1.518 0.22 0 N-CA-C 110.172 -1.171 . . . . 10.0 110.172 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.48 -143.34 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 11.4 mm -102.1 114.92 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 10.0 111.921 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.547 HG12 ' HB ' ' D' ' 32' ' ' ILE . 1.2 pt -125.9 141.91 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.49 118.65 1.82 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.406 -0.902 . . . . 10.0 112.931 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -111.06 111.59 22.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.513 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -114.44 111.91 22.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.025 0.441 . . . . 10.0 111.844 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -108.1 124.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.81 103.47 0.58 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 10.0 112.217 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.26 116.55 3.85 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.003 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.443 HG21 ' HA3' ' M' ' 33' ' ' GLY . 27.3 t -118.68 115.88 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.756 0.313 . . . . 10.0 110.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.403 HG12 ' CG1' ' F' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.906 0.384 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.41 117.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.516 0.674 . . . . 10.0 110.672 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -119.86 123.26 43.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.722 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.04 113.36 19.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.495 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -119.33 112.44 19.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.917 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -120.29 114.92 22.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.55 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.35 126.33 55.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.681 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.96 119.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.457 0.646 . . . . 10.0 111.498 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.507 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 8.0 m-85 -120.16 132.96 55.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.757 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -116.61 108.25 15.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.81 110.17 19.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -125.86 121.72 34.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -118.44 163.64 16.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 2.1 t -128.65 9.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.995 0.426 . . . . 10.0 110.653 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -56.6 108.98 1.36 Allowed Glycine 0 C--O 1.215 -1.061 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.846 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 0.7 OUTLIER -82.82 -11.23 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.08 0.77 . . . . 10.0 113.08 -177.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -141.22 119.27 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.528 0.566 . . . . 10.0 112.528 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.733 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 15.4 tptm 59.54 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.75 -10.32 71.65 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.48 -108.31 0.11 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 24.7 mt -140.65 108.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.956 0.408 . . . . 10.0 111.259 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.651 HG22 ' HB ' ' G' ' 32' ' ' ILE . 12.7 pt -125.69 134.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.025 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.72 136.47 8.67 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.693 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -126.48 109.86 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 2.0 mpt? -108.98 121.77 45.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.978 0.418 . . . . 10.0 111.072 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.88 113.11 41.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.12 113.63 3.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.985 -0.626 . . . . 10.0 111.989 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.14 113.62 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.124 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.84 125.29 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 5.2 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.679 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.958 0.409 . . . . 10.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -116.89 95.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -111.21 124.81 52.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.874 0.369 . . . . 10.0 111.264 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -125.76 104.67 8.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.956 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -112.24 131.87 55.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.373 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -133.76 127.63 33.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.957 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.96 110.55 17.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.001 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -115.13 111.67 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.619 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -122.53 124.43 43.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.778 0.323 . . . . 10.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -116.08 125.2 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 105.71 6.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.524 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -124.98 119.91 30.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.23 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -126.68 132.7 51.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.4 t -87.67 61.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.17 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -65.26 172.06 22.85 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.325 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 7.4 m -148.63 -55.3 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.421 . . . . 10.0 109.885 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -125.96 111.86 15.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.733 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 45.5 mtmt 64.34 107.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.83 -15.33 78.14 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.81 -0.916 . . . . 10.0 110.81 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.844 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 75.36 -129.68 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 113.145 0.795 . . . . 10.0 113.145 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 54.3 mt -121.64 108.88 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.207 0.527 . . . . 10.0 111.544 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.651 ' HB ' HG22 ' F' ' 32' ' ' ILE . 56.1 mt -122.18 127.71 75.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.105 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.22 124.01 4.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.453 -0.879 . . . . 10.0 112.889 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 6.6 mp -108.13 125.45 51.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.533 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 17.5 mmt -122.88 104.78 9.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.931 0.396 . . . . 10.0 110.981 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.426 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 20.7 t -102.25 112.97 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -117.24 109.69 1.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.349 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.47 119.82 4.1 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.009 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 37.8 t -123.48 118.84 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 61.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.99 123.86 66.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.644 0.259 . . . . 10.0 110.701 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -128.51 119.96 25.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 10.0 110.841 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.25 111.35 18.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.805 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -126.58 125.68 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.373 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -134.89 134.02 40.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 10.0 111.977 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.82 127.48 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.018 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -129.2 111.11 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.146 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.09 126.2 45.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -120.91 113.38 20.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.6 120.38 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.707 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.69 147.74 52.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.132 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -155.59 172.51 18.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.731 -0.213 . . . . 10.0 110.511 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' G' ' 24' ' ' VAL . 2.4 t -129.23 75.19 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.032 0.444 . . . . 10.0 109.983 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.492 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -86.61 78.59 1.9 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.0 -0.546 . . . . 10.0 112.094 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.102 0.477 . . . . 10.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -130.14 104.97 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.465 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.844 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 26.9 ttpt 68.54 111.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.862 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.99 8.27 67.37 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.003 -0.618 . . . . 10.0 111.768 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.3 -158.7 0.32 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.13 0.572 . . . . 10.0 112.124 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 46.0 mt -105.68 107.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.167 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.11 141.79 42.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.23 129.99 6.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.895 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 49.0 tp -112.67 101.46 9.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.533 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.2 mpt? -106.99 135.28 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.923 0.392 . . . . 10.0 111.144 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.507 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 5.5 p -135.94 131.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.779 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.44 115.61 1.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.555 -0.831 . . . . 10.0 112.672 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.69 112.69 1.81 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.835 -0.698 . . . . 10.0 111.705 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 22.5 t -119.83 126.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.528 -0.748 . . . . 10.0 111.078 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' J' ' 12' ' ' VAL . 22.8 t -103.21 104.74 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -106.47 116.11 31.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.375 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -127.33 100.94 6.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -131.89 126.42 34.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.767 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' I' ' 16' ' ' LYS . 12.0 ptpt -140.63 134.01 29.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.155 0.502 . . . . 10.0 111.751 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.449 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.0 mp -119.88 117.03 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.452 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -121.72 121.89 65.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.951 0.405 . . . . 10.0 110.801 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -115.28 115.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.22 110.95 23.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.59 93.07 3.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.932 0.396 . . . . 10.0 111.36 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.13 112.18 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.98 140.34 46.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.415 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.794 HG22 ' HA ' ' J' ' 24' ' ' VAL . 27.3 m -122.38 33.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.607 0.718 . . . . 10.0 110.516 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -71.82 95.41 0.63 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.007 -0.997 . . . . 10.0 111.661 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -32.24 73.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.21 134.94 19.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 68.9 mttm 61.95 82.76 0.16 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.536 -1.211 . . . . 10.0 113.262 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.13 -26.37 73.38 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.91 -138.27 0.07 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 13.1 mm -97.83 137.51 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 10.0 112.21 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -148.11 141.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.498 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -138.77 120.3 1.91 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.435 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.74 107.61 13.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.534 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.4 mpt? -113.17 111.92 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 10.0 111.932 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.83 116.52 52.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.079 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.97 88.04 0.43 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.094 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 80.26 0.48 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.038 -0.601 . . . . 10.0 111.682 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.91 ' HB ' HG12 ' J' ' 39' ' ' VAL . 28.6 t -85.76 104.89 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.188 0.518 . . . . 10.0 110.462 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.591 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' K' ' 11' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.851 0.357 . . . . 10.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' I' ' 12' ' ' VAL . 27.1 t -114.27 117.2 54.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.638 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -117.11 117.66 30.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -122.1 106.43 11.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.224 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -120.11 123.41 43.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.73 123.44 35.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.375 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.509 ' HG ' HD13 ' K' ' 17' ' ' LEU . 5.6 mp -117.24 111.71 19.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.8 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 114.07 41.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.391 0.615 . . . . 10.0 111.284 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.51 122.61 45.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -106.31 114.59 28.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.891 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 109.02 13.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.819 0.342 . . . . 10.0 110.347 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -102.85 119.93 39.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.992 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.88 144.12 38.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.591 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.794 ' HA ' HG22 ' I' ' 24' ' ' VAL . 13.3 t -125.73 22.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.44 0.638 . . . . 10.0 109.663 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -70.09 67.58 0.67 Allowed Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.677 -0.692 . . . . 10.0 113.362 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.443 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 0.1 OUTLIER -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.047 0.758 . . . . 10.0 113.047 -179.294 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -130.57 110.14 11.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.054 -0.258 . . . . 10.0 111.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.695 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 11.4 mmmt 64.83 98.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.345 0.869 . . . . 10.0 113.345 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.51 -16.64 77.56 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.395 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.81 -95.01 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.612 0.765 . . . . 10.0 112.753 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 14.5 tt -160.52 106.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.811 0.815 . . . . 10.0 112.555 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.62 HG22 HG12 ' K' ' 32' ' ' ILE . 46.0 pt -116.86 142.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.419 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.81 131.51 5.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.347 -0.93 . . . . 10.0 113.1 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.599 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.4 mp -125.41 119.34 28.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.534 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.3 mpt? -122.48 109.66 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.01 0.433 . . . . 10.0 111.016 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.474 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.0 p -112.1 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.096 0.474 . . . . 10.0 110.52 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.55 125.04 6.52 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.973 -0.632 . . . . 10.0 111.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.51 115.64 1.4 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.866 -0.683 . . . . 10.0 111.539 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.91 HG12 ' HB ' ' I' ' 39' ' ' VAL . 3.9 m -114.56 119.13 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.112 0.482 . . . . 10.0 110.865 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' K' ' 40' ' ' VAL . 47.1 t . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.568 ' HB2' ' HG3' ' J' ' 11' ' ' GLU . 50.0 mt-10 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.92 0.391 . . . . 10.0 111.336 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.97 111.95 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.843 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 13' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' K' ' 15' ' ' GLN . 33.3 t-80 -113.95 124.41 52.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.439 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -122.19 112.22 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.975 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.539 ' HB2' ' CE1' ' K' ' 13' ' ' HIS . 25.4 tt0 -123.68 119.59 30.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.939 0.4 . . . . 10.0 110.655 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -123.83 125.38 44.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.509 HD13 ' HG ' ' J' ' 17' ' ' LEU . 5.5 mp -116.97 105.26 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.501 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 t -113.72 115.19 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.662 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.51 122.99 39.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.935 0.398 . . . . 10.0 111.329 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -108.75 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.107 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.5 104.93 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 10.0 110.19 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' L' ' 23' ' ' ASP . 34.0 tt0 -105.02 115.97 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.21 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -108.04 155.29 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.437 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.754 ' O ' ' HA ' ' L' ' 26' ' ' SER . 7.4 t -134.12 25.92 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.152 0.501 . . . . 10.0 109.754 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 25' ' ' GLY . . . . . 0.644 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -68.8 74.34 0.33 Allowed Glycine 0 C--O 1.224 -0.507 0 CA-C-N 116.01 -0.541 . . . . 10.0 114.04 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 26' ' ' SER . . . . . 0.711 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 8.0 m -52.89 -37.48 60.58 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -123.68 113.41 18.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.206 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.695 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 88.5 mttt 61.48 98.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.81 -18.23 74.0 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.342 -1.103 . . . . 10.0 110.342 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.07 -120.13 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.329 0.862 . . . . 10.0 113.329 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 14.2 mt -130.28 105.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 10.0 111.837 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.62 HG12 HG22 ' J' ' 32' ' ' ILE . 8.9 pt -116.66 137.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.27 124.99 4.29 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 113.058 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.599 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -119.68 109.18 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -113.37 123.46 50.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 10.0 111.424 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.474 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -116.9 128.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.575 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.86 102.51 0.62 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.151 -0.547 . . . . 10.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.74 107.66 2.16 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.783 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 t -108.2 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' J' ' 40' ' ' VAL . 34.8 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.653 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 10.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 t -122.24 106.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -112.93 123.23 49.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.324 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -122.82 104.55 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.652 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -112.51 120.66 42.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -128.24 118.58 23.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.993 0.425 . . . . 10.0 111.862 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.7 mm? -107.95 118.23 36.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.362 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 0.6 OUTLIER -126.09 110.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.023 0.439 . . . . 10.0 110.935 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.46 131.08 54.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.908 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.9 119.61 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.93 113.57 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -111.32 121.26 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.584 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -116.56 159.11 22.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 10.0 109.98 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.8 t -139.77 22.61 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 25' ' ' GLY . . . . . 0.626 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -70.45 78.92 0.44 Allowed Glycine 0 C--O 1.219 -0.785 0 CA-C-N 115.857 -0.61 . . . . 10.0 113.632 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 26' ' ' SER . . . . . 0.754 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 14.4 m -59.7 -23.99 63.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -129.06 105.77 8.42 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.311 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.9 mttt 65.48 103.49 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 114.343 1.238 . . . . 10.0 114.343 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.69 -18.15 78.53 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.83 -0.908 . . . . 10.0 110.83 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.21 -133.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.591 ' O ' ' HA ' ' M' ' 31' ' ' ILE . 47.3 mt -122.67 106.59 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.974 0.416 . . . . 10.0 111.868 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.414 ' HB ' HG12 ' M' ' 32' ' ' ILE . 35.4 pt -118.49 141.2 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.3 129.61 5.94 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.619 -0.801 . . . . 10.0 113.301 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -120.05 119.82 34.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.4 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.5 mpt? -121.85 110.69 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.202 0.525 . . . . 10.0 111.05 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.08 106.29 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.215 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.538 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -111.43 116.83 4.32 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.364 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.03 120.12 3.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.081 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -119.99 124.56 72.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 9.2 p . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.605 0.241 . . . . 10.0 110.79 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 39.3 t -121.17 113.76 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.25 112.08 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.404 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -118.37 114.19 22.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.089 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -124.95 121.8 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.305 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.4 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -120.52 114.72 22.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.1 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.478 ' HB ' HG12 ' N' ' 18' ' ' VAL . 6.9 t -119.02 121.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.463 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.59 130.07 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.346 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -113.2 118.79 35.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.394 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.35 102.85 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 10.0 110.024 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -113.77 126.15 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.285 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.9 161.23 27.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' N' ' 26' ' ' SER . 1.8 t -132.89 29.18 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.813 0.339 . . . . 10.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.626 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -69.11 80.79 0.26 Allowed Glycine 0 C--O 1.223 -0.579 0 CA-C-N 116.281 -0.418 . . . . 10.0 113.396 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 26' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 2.3 m -54.77 -31.97 59.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -124.17 109.72 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.979 0.362 . . . . 10.0 111.979 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.8 tppt? 65.35 95.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.246 -0.888 . . . . 10.0 113.297 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -24.29 69.44 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.293 -0.723 . . . . 10.0 111.293 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' CD ' ' N' ' 28' ' ' LYS . . . 78.78 -143.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.591 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.6 mt -109.69 118.63 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 112.27 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' L' ' 32' ' ' ILE . 3.1 pt -126.28 145.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.918 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 33' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -134.43 121.03 2.57 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.86 108.68 17.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' N' ' 35' ' ' MET . 1.7 mpt? -113.7 113.61 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.005 0.431 . . . . 10.0 111.897 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.54 121.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.584 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 105.86 0.89 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.094 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.65 115.79 3.39 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.768 -0.73 . . . . 10.0 111.739 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.51 121.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.64 0.257 . . . . 10.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 1.6 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.3 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.654 0.264 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.2 118.09 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.942 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -121.28 121.5 37.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.161 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -121.0 117.17 26.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.851 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -121.11 115.23 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.078 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -121.87 120.7 35.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.378 . . . . 10.0 111.366 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.64 121.57 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.358 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' M' ' 18' ' ' VAL . 2.0 m -128.7 119.11 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.107 0.48 . . . . 10.0 111.269 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -121.54 126.42 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -114.25 112.19 22.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.04 108.79 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -123.06 123.22 40.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.684 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -120.87 166.27 14.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.2 t -130.95 11.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.921 0.391 . . . . 10.0 110.395 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -58.87 102.85 0.31 Allowed Glycine 0 C--O 1.215 -1.052 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 26' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 0.8 OUTLIER -80.88 -5.54 57.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -143.38 114.81 8.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 2.4 tppp? 60.59 98.75 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.8 -7.63 66.18 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.663 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.99 -109.03 0.18 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 24.8 mt -141.08 107.85 2.11 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.846 0.355 . . . . 10.0 110.94 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.528 HG22 ' HB ' ' O' ' 32' ' ' ILE . 17.5 pt -125.78 135.31 64.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.663 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.25 137.97 9.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.831 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.1 mp -126.47 111.14 14.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' M' ' 35' ' ' MET . 1.8 mpt? -109.79 119.98 41.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.32 114.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.29 114.28 3.14 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.037 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.18 113.72 2.0 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.009 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 t -117.09 122.16 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.9 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.194 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.839 0.352 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.52 110.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 13' ' ' HIS . . . . . 0.428 ' ND1' ' HB3' ' P' ' 13' ' ' HIS . 61.4 t60 -119.36 130.61 55.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.267 0.556 . . . . 10.0 111.558 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.43 110.97 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.455 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -115.55 125.59 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.523 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -126.32 124.43 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.025 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.64 108.94 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.544 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.51 ' HB ' HG23 ' P' ' 18' ' ' VAL . 9.1 t -118.0 113.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.468 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.38 126.14 46.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.792 0.329 . . . . 10.0 111.236 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -117.16 120.61 38.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.32 103.65 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.406 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -120.69 118.95 31.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.048 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.53 129.43 45.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.941 0.401 . . . . 10.0 110.088 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.429 ' HA ' HG23 ' N' ' 24' ' ' VAL . 6.5 t -85.96 65.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.079 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -65.35 173.2 20.72 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.723 -0.671 . . . . 10.0 112.895 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -152.78 -52.4 0.11 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.407 . . . . 10.0 109.915 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -130.53 116.93 18.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.387 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 93.6 mttt 67.28 107.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.51 -12.27 83.81 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.333 -1.107 . . . . 10.0 110.333 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.698 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 68.45 -135.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.558 0.743 . . . . 10.0 112.67 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 38.6 mt -121.26 107.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.197 0.522 . . . . 10.0 111.439 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.528 ' HB ' HG22 ' N' ' 32' ' ' ILE . 52.2 mt -120.94 128.52 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.753 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.64 121.65 3.7 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.825 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.457 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -104.93 122.69 46.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.556 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.3 mmt -119.74 102.1 8.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.91 0.386 . . . . 10.0 110.655 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 t -101.37 111.03 29.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.136 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -115.6 111.36 2.42 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.476 -0.869 . . . . 10.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.99 118.95 3.45 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.132 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.38 125.59 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.035 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.801 0.334 . . . . 10.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.52 133.89 64.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.094 0.473 . . . . 10.0 111.376 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 13' ' ' HIS . . . . . 0.428 ' HB3' ' ND1' ' O' ' 13' ' ' HIS . 1.3 t-80 -128.43 118.39 23.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.112 -0.495 . . . . 10.0 109.749 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -117.72 109.89 17.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.9 126.69 55.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.981 0.42 . . . . 10.0 110.113 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -126.3 116.87 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.127 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 22.8 tp -122.67 115.35 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.086 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' O' ' 18' ' ' VAL . 13.7 p -132.45 136.31 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 10.0 111.425 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -137.8 134.32 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -119.31 115.66 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.354 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 116.0 20.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.623 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.46 148.08 49.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.911 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -158.05 172.59 18.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.41 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.78 72.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -82.69 85.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.003 -0.617 . . . . 10.0 112.551 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -48.41 81.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.276 0.56 . . . . 10.0 110.755 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -126.97 107.43 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.346 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 28' ' ' LYS . . . . . 0.698 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 13.8 ttmt 70.63 111.67 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.998 0.811 . . . . 10.0 112.913 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.35 3.47 62.6 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.094 -0.574 . . . . 10.0 111.942 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' ALA . . . . . 0.414 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 64.2 -170.0 0.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.268 0.627 . . . . 10.0 112.431 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 59.6 mt -99.15 109.98 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.927 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.422 HG13 HG23 ' O' ' 32' ' ' ILE . 18.1 pt -129.36 145.66 35.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 128.46 5.01 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.881 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -108.06 103.85 13.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.465 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.6 mpt? -103.13 125.93 50.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.731 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -119.81 122.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.549 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.55 102.62 0.83 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.637 -0.792 . . . . 10.0 112.199 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 113.04 2.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.772 -0.728 . . . . 10.0 112.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.42 130.7 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' O' ' 40' ' ' VAL . 1.5 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.861 ' HG3' ' HG3' ' B' ' 11' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.747 0.308 . . . . 10.0 111.074 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 39.4 t -100.19 102.53 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -104.4 116.26 31.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 10.0 111.772 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -124.51 80.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.99 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -103.1 125.77 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.584 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -135.57 126.32 27.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.098 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -124.26 120.08 31.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 HG13 ' B' ' 18' ' ' VAL . 11.0 p -133.15 128.81 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.417 0.627 . . . . 10.0 111.729 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.24 118.6 31.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.57 109.94 22.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.265 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.56 109.64 21.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 10.0 111.023 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.759 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 5.5 tp10 -96.92 106.19 18.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -106.54 132.79 52.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.728 0.299 . . . . 10.0 111.311 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 23' ' ' ASP . 6.7 t -125.25 29.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.801 0.81 . . . . 10.0 110.082 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -78.03 122.77 6.1 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.796 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -28.72 10.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.706 -0.29 . . . . 10.0 111.613 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -133.9 116.37 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.014 0.376 . . . . 10.0 112.014 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 60.5 mttp 61.27 95.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -19.21 79.92 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.416 -1.074 . . . . 10.0 110.416 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.96 -122.01 0.25 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -121.08 128.66 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 10.0 112.069 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.515 HD12 HD11 ' B' ' 32' ' ' ILE . 2.8 tt -137.61 129.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.99 118.18 3.72 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.918 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.66 105.68 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.2 mpt? -110.88 111.69 23.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.995 0.426 . . . . 10.0 111.455 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.5 t -114.3 110.43 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.73 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.16 106.83 1.1 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.42 95.95 0.53 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.968 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -99.09 127.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 10.0 111.075 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' B' ' 40' ' ' VAL . 26.2 m . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.861 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 1.9 pt-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.965 0.412 . . . . 10.0 110.903 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.48 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 21.3 t -110.3 124.5 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.563 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -118.48 115.85 25.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -119.29 114.94 23.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.752 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -130.88 123.43 28.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.201 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.38 122.54 33.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.363 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.441 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.9 mp -114.14 109.08 17.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.449 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' C' ' 18' ' ' VAL . 8.1 t -119.4 118.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -122.6 129.25 51.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.888 0.375 . . . . 10.0 111.324 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -108.65 119.69 40.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.689 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.09 103.58 7.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.703 0.287 . . . . 10.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.759 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 21.4 tt0 -101.62 122.0 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.31 146.31 42.51 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.763 0.665 . . . . 10.0 109.324 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.9 t -128.54 20.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.415 0.626 . . . . 10.0 109.806 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -67.47 85.06 0.14 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.789 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -32.85 72.93 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.707 0.289 . . . . 10.0 111.605 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.75 112.67 16.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 94.8 mttt 61.53 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -19.36 78.1 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 110.829 -0.909 . . . . 10.0 110.829 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.77 -108.64 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.037 0.754 . . . . 10.0 113.037 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 97.1 mt -139.44 105.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.368 0.604 . . . . 10.0 111.608 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.69 HG22 HG12 ' C' ' 32' ' ' ILE . 43.7 pt -119.33 139.3 47.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.086 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.91 136.24 7.86 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.419 -0.896 . . . . 10.0 113.498 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.1 mp -129.22 121.3 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -120.03 119.4 33.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.433 . . . . 10.0 111.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.88 114.48 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.598 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.59 109.78 1.82 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.931 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 116.06 3.17 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.614 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.92 115.19 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.622 ' HB ' HG12 ' A' ' 40' ' ' VAL . 61.1 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.407 . . . . 10.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.44 118.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.773 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -115.34 122.37 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.687 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -124.43 103.75 8.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.708 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -118.67 122.99 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.635 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.47 ' HD3' ' HE3' ' D' ' 16' ' ' LYS . 61.0 mtpt -130.03 127.28 39.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.201 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.11 115.88 24.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.682 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' B' ' 18' ' ' VAL . 2.5 t -126.07 115.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 10.0 110.891 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -117.75 128.46 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.936 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.64 110.22 21.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.13 108.02 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -112.62 115.85 29.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.345 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -107.92 157.03 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.538 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.751 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.4 t -135.03 26.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.235 0.541 . . . . 10.0 109.815 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.648 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.57 77.39 0.37 Allowed Glycine 0 C--O 1.224 -0.509 0 CA-C-N 115.791 -0.64 . . . . 10.0 114.108 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.661 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 0.9 OUTLIER -54.92 -32.12 60.84 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -126.15 113.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.585 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 94.6 mttt 61.05 99.79 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.471 1.285 . . . . 10.0 114.471 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.09 -21.7 77.07 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 110.22 -1.152 . . . . 10.0 110.22 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.35 -116.85 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 18.2 mt -131.73 108.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.957 0.408 . . . . 10.0 111.755 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.69 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -120.43 140.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.129 -0.322 . . . . 10.0 110.129 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.2 127.31 4.32 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.35 -0.929 . . . . 10.0 113.018 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.1 mp -122.23 111.41 16.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -113.68 119.5 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.185 0.517 . . . . 10.0 111.459 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -113.1 122.35 67.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.682 . . . . 10.0 109.625 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.67 109.46 1.24 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.104 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.35 114.86 3.07 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.743 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 t -114.15 114.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.412 ' O ' HD13 ' K' ' 31' ' ' ILE . 80.6 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.464 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 t -125.86 114.65 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.537 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -116.92 122.25 43.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 10.0 111.51 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -122.32 108.75 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.335 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -121.59 125.67 47.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.683 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.624 ' HB2' ' HG2' ' E' ' 16' ' ' LYS . 14.0 mptt -126.04 126.84 44.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 10.0 111.717 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.572 HD13 ' HB2' ' E' ' 17' ' ' LEU . 3.8 mm? -115.13 108.49 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 10.5 t -122.12 117.01 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.33 . . . . 10.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -123.85 128.38 49.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.376 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.62 119.87 40.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.325 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.88 101.98 6.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 10.0 110.042 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -107.92 116.99 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 2.4 t70 -112.67 161.21 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.919 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' E' ' 26' ' ' SER . 1.6 t -138.35 31.02 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.177 0.513 . . . . 10.0 109.69 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.646 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -74.4 75.19 1.21 Allowed Glycine 0 C--O 1.22 -0.761 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.36 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.751 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.8 OUTLIER -54.25 -21.92 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.477 0.918 . . . . 10.0 113.477 -178.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -134.96 109.01 8.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 99.8 mttt 64.61 102.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 -21.06 80.08 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.117 -0.793 . . . . 10.0 111.117 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.97 -117.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.603 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 69.7 mt -132.88 111.09 16.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.352 0.596 . . . . 10.0 112.11 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.5 pt -118.89 143.84 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.897 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.89 119.98 1.94 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.597 -0.811 . . . . 10.0 113.003 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.32 117.56 32.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.587 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 16.4 mmt -116.27 108.47 16.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.048 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -107.97 109.54 28.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.028 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -116.82 114.72 3.09 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.33 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.24 118.25 3.49 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.107 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.52 118.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.878 0.37 . . . . 10.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.43 ' O ' HD13 ' L' ' 31' ' ' ILE . 62.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.036 0.446 . . . . 10.0 110.74 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 t -107.59 99.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -102.59 121.44 42.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.859 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -123.62 110.58 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.01 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -129.61 122.13 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.043 0.449 . . . . 10.0 111.22 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.791 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 79.1 mttt -128.81 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.252 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.572 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.9 mp -124.15 112.35 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.754 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 14.6 t -122.04 122.34 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.411 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 10.5 m-85 -120.84 133.26 55.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.217 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.22 122.5 47.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.31 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.87 102.64 6.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.975 0.417 . . . . 10.0 109.972 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.54 118.65 37.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.952 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -111.46 164.04 13.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' F' ' 26' ' ' SER . 4.8 t -137.82 10.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 10.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.61 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -60.69 90.59 0.05 OUTLIER Glycine 0 C--O 1.218 -0.866 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.747 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.2 m -69.68 -6.78 33.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -149.37 118.03 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.911 -0.131 . . . . 10.0 111.194 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' F' ' 28' ' ' LYS . 56.2 mttt 58.74 91.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.84 -23.8 67.73 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.705 -0.958 . . . . 10.0 110.705 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.519 ' HB2' ' HG3' ' F' ' 28' ' ' LYS . . . 77.06 -129.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.752 0.821 . . . . 10.0 113.05 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 8.6 mm -114.88 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.399 . . . . 10.0 111.772 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.662 HG22 ' HB ' ' F' ' 32' ' ' ILE . 20.8 pt -130.55 131.93 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.314 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.53 132.38 6.74 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.604 -0.808 . . . . 10.0 113.074 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.76 111.72 17.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.41 ' HB2' ' SD ' ' F' ' 35' ' ' MET . 1.9 mpt? -112.38 115.56 28.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.962 0.411 . . . . 10.0 111.285 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.36 118.06 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.0 109.0 1.54 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.15 -0.547 . . . . 10.0 112.092 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.05 113.94 2.77 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.26 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.89 114.22 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 35.4 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.811 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.023 0.44 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -126.05 118.94 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.315 0.578 . . . . 10.0 111.006 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' F' ' 15' ' ' GLN . 35.2 t60 -113.9 123.98 51.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.352 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -124.34 108.46 12.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.906 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.423 ' HB2' ' NE2' ' F' ' 13' ' ' HIS . 47.0 tt0 -127.94 120.21 27.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.781 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.791 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 54.2 mtmt -131.97 129.17 39.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.102 0.477 . . . . 10.0 111.332 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -121.77 127.04 50.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.798 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.582 HG13 HG13 ' G' ' 18' ' ' VAL . 6.0 p -136.22 120.34 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.482 0.658 . . . . 10.0 111.082 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.401 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 6.9 m-85 -117.65 130.79 56.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.563 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.72 110.96 22.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.508 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.19 99.07 6.63 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -114.1 118.54 34.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.174 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.83 168.2 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 3.3 t -133.67 2.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.806 0.336 . . . . 10.0 110.527 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 103.04 0.19 Allowed Glycine 0 C--O 1.216 -0.996 0 C-N-CA 121.317 -0.468 . . . . 10.0 112.144 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 29.7 m -82.01 6.39 16.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 -177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -155.25 117.72 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' E' ' 28' ' ' LYS . 46.7 tttt 54.52 96.4 0.02 OUTLIER 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.679 1.362 . . . . 10.0 114.679 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -22.35 70.5 Favored Glycine 0 C--N 1.331 0.299 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.76 -104.07 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 29.4 mt -134.88 107.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 10.0 111.402 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' E' ' 32' ' ' ILE . 60.6 mt -126.43 127.78 70.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 10.0 109.881 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.89 135.03 7.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.807 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.458 ' HG ' HD13 ' G' ' 34' ' ' LEU . 5.7 mp -121.35 115.1 22.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.62 ' HG3' ' HA3' ' N' ' 37' ' ' GLY . 16.7 mmt -112.31 116.1 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.838 0.351 . . . . 10.0 110.501 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -116.32 112.39 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.015 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.663 ' HA3' ' HG3' ' N' ' 35' ' ' MET . . . -117.65 114.77 3.02 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.997 -0.62 . . . . 10.0 112.668 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 114.02 2.41 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.0 -0.619 . . . . 10.0 111.99 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 44.7 t -117.53 117.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 4.5 p . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 120.642 0.258 . . . . 10.0 111.308 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.623 0.249 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 106.24 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -114.2 121.7 44.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 10.0 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.87 105.32 9.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.987 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' H' ' 15' ' ' GLN . 16.5 tt0 -123.51 125.62 45.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 10.0 111.024 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 48.6 mtmt -131.9 133.18 44.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.773 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.09 118.82 30.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.582 HG13 HG13 ' F' ' 18' ' ' VAL . 4.4 t -125.88 124.49 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 111.346 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.33 126.41 43.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.4 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -110.57 111.01 21.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.734 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.98 103.5 8.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.51 115.0 20.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.705 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -124.72 125.74 44.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 3.6 t -82.71 65.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.765 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -67.25 170.07 35.03 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.377 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -141.38 -49.12 0.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.059 0.457 . . . . 10.0 109.903 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.23 124.13 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 39.9 ttmt 64.27 98.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 -18.67 77.08 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 110.943 -0.863 . . . . 10.0 110.943 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.34 -120.08 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 58.6 mt -130.55 113.54 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.191 0.52 . . . . 10.0 111.967 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 42.7 mt -125.77 126.16 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 116.11 2.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.622 -0.799 . . . . 10.0 112.448 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.458 HD13 ' HG ' ' F' ' 34' ' ' LEU . 6.1 mp -98.8 125.94 44.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.1 mmt -122.2 113.97 20.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.813 0.339 . . . . 10.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.411 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.5 t -115.31 113.4 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.798 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.52 111.36 2.03 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.422 -0.894 . . . . 10.0 112.926 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 122.94 5.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 17.2 t -125.48 119.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.471 ' O ' HD13 ' O' ' 31' ' ' ILE . 59.6 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.211 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.645 0.259 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.53 123.68 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.381 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -127.0 127.28 44.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.936 0.398 . . . . 10.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -119.71 124.06 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.417 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' G' ' 15' ' ' GLN . 61.4 tt0 -141.5 124.65 16.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 10.0 111.232 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -137.01 117.38 13.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.369 0.604 . . . . 10.0 111.584 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.09 111.0 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 28.8 t -121.02 124.02 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -130.03 140.95 50.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.714 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -118.41 118.52 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.102 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.34 107.18 10.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.065 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.05 137.7 54.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.26 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.03 -175.43 4.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.354 . . . . 10.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.87 56.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.381 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -76.88 81.67 1.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.905 -0.589 . . . . 10.0 112.026 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -57.61 -44.72 85.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 10.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -135.61 118.78 16.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt 67.97 96.28 0.06 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.794 0.684 . . . . 10.0 111.739 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.44 6.75 35.75 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.237 -0.506 . . . . 10.0 112.513 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.27 -159.11 0.3 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.113 0.565 . . . . 10.0 111.815 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 60.1 mt -110.43 104.45 17.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 48.0 pt -121.2 151.51 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.25 111.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.705 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.1 106.97 18.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.603 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 5.5 ptp -120.33 128.05 52.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.097 0.475 . . . . 10.0 112.143 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.401 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 9.9 p -129.67 140.02 50.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.276 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.65 132.17 6.35 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.586 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.23 119.1 2.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.721 -0.551 . . . . 10.0 111.721 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 43.5 t -124.05 124.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.411 HG23 HG13 ' G' ' 40' ' ' VAL . 5.0 m . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.624 0.25 . . . . 10.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 t -94.48 107.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -109.98 110.43 21.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.726 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -120.9 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.317 0.58 . . . . 10.0 109.964 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.406 ' HG3' ' HB3' ' J' ' 15' ' ' GLN . 46.4 tt0 -114.67 133.11 56.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.955 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.513 ' HG3' ' HG2' ' J' ' 16' ' ' LYS . 12.2 ptpt -147.6 137.03 22.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.189 0.519 . . . . 10.0 111.676 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.22 125.11 48.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.685 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -125.47 116.49 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.014 0.435 . . . . 10.0 111.047 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.1 125.94 54.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.47 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.09 107.19 17.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.518 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.97 97.55 7.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.41 . . . . 10.0 110.357 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -96.85 107.89 20.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.839 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -104.86 142.56 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 111.533 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' J' ' 23' ' ' ASP . 5.7 t -129.04 31.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.872 0.844 . . . . 10.0 109.239 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -75.78 121.62 6.38 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.593 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -84.06 -45.02 13.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 10.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.07 141.44 30.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 66.8 mttm 61.1 87.05 0.1 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.546 -1.206 . . . . 10.0 113.365 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 -24.76 75.25 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.46 -137.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.5 129.31 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.13 0.491 . . . . 10.0 112.07 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -138.26 122.55 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.0 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.84 117.68 4.11 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.649 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.44 103.36 9.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.573 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.1 mpt? -111.55 117.83 34.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 10.0 112.031 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -116.53 108.23 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.405 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.92 104.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.433 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 99.89 0.99 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.31 112.11 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.71 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.854 0.359 . . . . 10.0 111.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -121.06 111.2 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -113.51 119.78 38.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.115 0.483 . . . . 10.0 111.576 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -123.54 112.76 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 25.7 tt0 -129.26 126.12 38.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.019 0.437 . . . . 10.0 111.346 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.579 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 58.0 mttt -126.22 126.23 43.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -119.16 101.52 8.06 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.72 117.52 55.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.992 0.425 . . . . 10.0 110.799 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.98 125.48 47.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.456 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.73 120.46 40.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.73 104.2 7.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.825 0.345 . . . . 10.0 110.447 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.35 124.27 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -117.01 148.15 41.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.863 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.9 t -129.1 19.71 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 10.0 110.11 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 84.53 0.1 Allowed Glycine 0 C--O 1.227 -0.343 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.428 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -68.36 -31.47 70.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -129.09 111.91 13.44 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.083 -0.247 . . . . 10.0 111.12 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 68.1 mttt 64.74 103.62 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.61 -20.43 76.61 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.37 -97.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 2.1 tp -152.14 102.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.514 0.673 . . . . 10.0 111.873 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.648 HG22 HG12 ' K' ' 32' ' ' ILE . 47.7 pt -115.99 140.56 37.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -139.24 132.18 5.56 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.238 -0.982 . . . . 10.0 113.548 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.1 mp -128.76 119.27 24.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.573 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -124.57 118.87 27.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.861 0.362 . . . . 10.0 111.223 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.538 HG23 ' HB ' ' K' ' 36' ' ' VAL . 4.1 p -118.52 118.25 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.126 0.488 . . . . 10.0 110.364 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.73 118.72 4.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.935 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 109.7 1.57 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.322 -0.711 . . . . 10.0 111.322 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.01 113.34 43.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.436 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.224 0.535 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -116.84 123.94 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.177 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 13' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' L' ' 40' ' ' VAL . 80.3 t60 -120.25 118.88 31.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -121.06 103.16 8.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.156 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -120.82 120.9 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 10.0 111.023 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LYS . . . . . 0.579 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 40.6 mtmt -129.13 128.71 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.384 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.29 113.44 20.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.608 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 t -122.4 115.59 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.19 0.519 . . . . 10.0 110.55 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -117.4 129.99 56.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.62 115.71 30.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.95 109.29 12.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.107 0.479 . . . . 10.0 109.949 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -114.69 118.92 35.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -109.64 153.88 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.688 ' O ' ' HA ' ' L' ' 26' ' ' SER . 3.7 t -131.17 25.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.376 0.608 . . . . 10.0 109.755 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 25' ' ' GLY . . . . . 0.643 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -67.72 77.39 0.2 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.676 -0.693 . . . . 10.0 113.313 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 26' ' ' SER . . . . . 0.67 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 2.3 m -56.35 -28.7 59.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -131.8 116.88 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.0 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.687 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 88.0 mttt 59.29 95.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.126 1.158 . . . . 10.0 114.126 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.88 73.8 Favored Glycine 0 C--N 1.33 0.247 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.1 -119.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 5.6 mt -126.63 111.32 25.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.877 0.37 . . . . 10.0 111.958 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.648 HG12 HG22 ' J' ' 32' ' ' ILE . 11.8 pt -123.32 137.23 57.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -133.73 126.49 4.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.334 -0.936 . . . . 10.0 113.332 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.55 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -122.43 114.93 21.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -118.07 121.4 40.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 10.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.538 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -113.92 125.42 71.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.723 -0.672 . . . . 10.0 109.626 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 106.07 0.89 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 121.021 -0.609 . . . . 10.0 111.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.16 113.4 3.04 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.811 -0.709 . . . . 10.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.77 114.23 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.739 0.305 . . . . 10.0 110.241 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.417 ' O ' HD13 ' C' ' 31' ' ' ILE . 39.1 t . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.348 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.342 -0.244 . . . . 10.0 110.342 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 115.27 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -117.43 121.67 41.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.95 0.405 . . . . 10.0 111.337 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 14' ' ' HIS . . . . . 0.645 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 5.0 m-70 -121.15 107.86 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.267 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -121.44 125.67 47.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 16' ' ' LYS . . . . . 0.645 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -129.68 125.5 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.068 0.461 . . . . 10.0 111.751 -179.599 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.9 mm? -112.61 113.12 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.349 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.8 t -123.07 116.68 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 10.0 110.523 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -123.16 125.93 46.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.851 0.358 . . . . 10.0 111.573 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.33 117.67 34.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.312 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.54 100.52 6.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 10.0 110.197 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -108.2 115.98 31.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.256 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.89 160.43 16.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.801 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 0.8 OUTLIER -138.97 32.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.012 178.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 25' ' ' GLY . . . . . 0.678 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -74.42 77.43 1.05 Allowed Glycine 0 C--O 1.22 -0.777 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.085 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 26' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.2 OUTLIER -52.3 -25.27 9.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -179.116 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -134.78 111.55 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.824 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.0 mttt 65.13 104.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -22.78 78.71 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.635 -0.986 . . . . 10.0 110.635 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.58 -106.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.154 1.168 . . . . 10.0 114.154 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.606 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 26.8 mt -142.56 110.05 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.166 0.508 . . . . 10.0 111.544 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 pt -119.9 142.78 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.112 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.26 121.81 2.39 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.791 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -118.2 118.18 31.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.433 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.6 mpt? -119.89 108.9 14.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.974 0.416 . . . . 10.0 111.192 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.45 109.09 26.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.826 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.587 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.29 114.29 3.24 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.431 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.05 120.11 4.24 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.144 -0.55 . . . . 10.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.15 121.02 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.166 0.508 . . . . 10.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -104.79 100.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.308 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -102.24 121.79 42.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.941 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -122.91 108.47 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.086 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.92 120.0 30.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.833 0.349 . . . . 10.0 110.535 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -131.03 126.19 35.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.128 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.484 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -121.88 117.1 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.768 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 11.0 t -124.38 121.17 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.812 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -118.26 134.73 54.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.067 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -114.74 113.26 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.394 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 110.72 15.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.89 0.376 . . . . 10.0 110.176 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.78 123.19 45.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.056 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -112.42 163.86 13.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' N' ' 26' ' ' SER . 3.5 t -139.0 12.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.949 0.404 . . . . 10.0 110.215 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.678 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -61.34 97.81 0.15 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.927 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -66.78 -19.08 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.01 0.405 . . . . 10.0 112.07 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -141.91 119.94 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.716 0.294 . . . . 10.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 23.3 mttt 59.96 95.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.81 -18.58 72.51 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.42 -131.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 42.0 mt -117.55 113.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.153 0.502 . . . . 10.0 112.342 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.579 HG22 ' HB ' ' N' ' 32' ' ' ILE . 28.3 pt -127.3 137.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.09 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.62 134.56 7.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.849 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.16 108.9 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' N' ' 35' ' ' MET . 2.0 mpt? -111.65 117.99 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.053 0.454 . . . . 10.0 111.241 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -113.61 118.48 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.835 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.62 108.12 1.54 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.209 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.15 110.4 2.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.25 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.6 117.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.382 0.134 . . . . 10.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -125.07 117.95 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 10.0 111.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 13' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' N' ' 15' ' ' GLN . 38.2 t-80 -114.3 120.26 39.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.566 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.19 108.65 14.48 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 15' ' ' GLN . . . . . 0.66 ' HB2' ' CE1' ' N' ' 13' ' ' HIS . 35.3 tt0 -127.43 119.05 25.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.93 0.395 . . . . 10.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -132.65 130.25 39.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.497 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -123.94 117.61 25.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.685 -0.688 . . . . 10.0 109.973 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.65 119.35 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.565 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -120.28 124.22 45.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.25 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -105.48 114.73 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.432 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.83 105.61 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 22' ' ' GLU . . . . . 0.48 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 42.5 tt0 -122.62 121.81 37.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.617 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -116.62 162.26 17.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' O' ' 24' ' ' VAL . 2.7 t -127.47 4.64 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.69 0.281 . . . . 10.0 110.966 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 105.93 0.48 Allowed Glycine 0 C--O 1.215 -1.045 0 N-CA-C 111.507 -0.637 . . . . 10.0 111.507 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 26' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 1.3 m -83.1 11.79 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -165.63 124.31 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 21.9 tptm 60.47 87.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 124.054 0.846 . . . . 10.0 113.09 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -23.45 68.58 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.594 -0.812 . . . . 10.0 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.58 -108.09 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 18.5 mt -135.28 107.06 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.422 . . . . 10.0 111.443 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.579 ' HB ' HG22 ' M' ' 32' ' ' ILE . 56.8 mt -124.5 127.88 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.07 134.61 7.81 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.889 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.504 ' HG ' HD13 ' O' ' 34' ' ' LEU . 5.8 mp -120.14 115.92 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.663 ' HG3' ' HA3' ' F' ' 37' ' ' GLY . 19.5 mmt -113.3 114.5 26.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 10.0 110.39 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 t -114.96 110.91 33.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.069 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.62 ' HA3' ' HG3' ' F' ' 35' ' ' MET . . . -116.02 116.56 3.67 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.667 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.69 114.53 2.36 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.217 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 50.9 t -116.18 118.28 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 2.9 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.194 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 12' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' P' ' 12' ' ' VAL . 16.9 t -131.05 109.37 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.921 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -113.91 123.12 48.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -123.57 100.89 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.257 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -116.02 118.34 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 10.0 110.783 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -127.62 126.54 42.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.44 121.38 38.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.974 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.4 t -128.97 129.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.549 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.67 130.88 49.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -113.58 104.83 12.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.222 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.17 105.99 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 22' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' N' ' 22' ' ' GLU . 57.2 tt0 -130.03 120.59 24.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.09 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -127.12 129.34 47.75 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.452 ' HA ' ' CG2' ' N' ' 24' ' ' VAL . 3.6 t -86.94 63.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.36 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -67.22 167.04 40.39 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.6 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -134.16 -44.8 0.78 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.146 0.498 . . . . 10.0 109.774 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' P' ' 27' ' ' ASN . 7.3 t30 -144.99 122.95 12.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.06 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.697 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 35.8 ttmt 66.09 104.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.54 -13.91 83.02 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.798 -0.921 . . . . 10.0 110.798 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.51 -118.13 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 18.7 mt -131.85 113.25 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.232 0.539 . . . . 10.0 111.654 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mt -122.94 130.33 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.048 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.51 112.34 1.25 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.504 HD13 ' HG ' ' N' ' 34' ' ' LEU . 5.8 mp -96.1 123.63 39.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -120.68 112.08 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.703 0.287 . . . . 10.0 110.834 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.84 111.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.47 107.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 125.19 6.33 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.458 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 22.5 t -126.83 121.6 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.2 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' O' ' 12' ' ' VAL . 9.5 p -128.15 125.15 63.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -119.45 124.73 47.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.13 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -120.05 112.83 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.085 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -122.25 124.19 43.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.92 111.16 13.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.18 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.72 114.98 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.119 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.7 p -137.63 132.07 44.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 10.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.19 137.32 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -114.83 120.61 40.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.466 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 112.97 10.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.023 0.439 . . . . 10.0 111.031 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -128.63 144.19 51.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -141.7 -176.06 4.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.928 0.394 . . . . 10.0 110.312 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.19 54.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.95 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 25' ' ' GLY . . . . . 0.534 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -75.98 83.9 0.93 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.374 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.85 -49.51 73.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.599 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' O' ' 27' ' ' ASN . 7.4 t30 -131.66 115.15 15.67 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.243 -0.286 . . . . 10.0 111.579 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 28' ' ' LYS . . . . . 0.431 ' HG2' ' H ' ' P' ' 30' ' ' ALA . 24.7 ttmt 67.43 98.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.074 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.78 11.59 33.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.135 -0.555 . . . . 10.0 112.135 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.431 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 61.48 -158.78 0.33 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.227 0.611 . . . . 10.0 111.786 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 3.0 mp -102.65 108.56 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tt -122.82 131.33 73.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.448 . . . . 10.0 111.071 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 135.93 9.15 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.946 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.01 106.02 13.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.431 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.4 mpt? -100.31 114.53 28.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.922 0.391 . . . . 10.0 111.584 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -116.77 126.95 74.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.426 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 37' ' ' GLY . . . . . 0.603 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -134.69 135.37 7.91 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.373 -0.918 . . . . 10.0 112.515 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.17 112.77 0.73 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.075 -0.583 . . . . 10.0 111.766 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 42.6 t -119.59 122.46 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.688 0.28 . . . . 10.0 110.326 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.964 -0.541 . . . . 10.0 111.126 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 18.2 t -115.64 89.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.588 ' HE1' HG11 ' B' ' 40' ' ' VAL . 44.1 t60 -102.51 109.95 21.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.1 0.476 . . . . 10.0 111.849 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -120.7 106.36 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.336 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.02 130.68 55.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.835 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HG2' ' B' ' 16' ' ' LYS . 56.6 mttm -131.32 123.28 27.96 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.102 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -130.86 120.48 23.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.419 ' CG1' HG12 ' B' ' 18' ' ' VAL . 14.3 p -146.81 128.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.597 0.713 . . . . 10.0 111.909 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -111.83 127.69 55.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.767 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.49 90.99 3.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.38 94.74 5.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.298 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -99.23 118.75 36.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.128 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -112.56 155.69 23.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.016 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 23' ' ' ASP . 3.8 t -122.16 39.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.716 -0.846 . . . . 10.0 108.716 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -72.86 85.45 0.56 Allowed Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.597 -0.729 . . . . 10.0 112.47 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -34.76 72.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.722 0.296 . . . . 10.0 111.54 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.38 112.88 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.8 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 65.3 mttp 61.75 103.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.01 74.58 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.259 -1.137 . . . . 10.0 110.259 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.73 -129.56 0.08 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HB ' HG12 ' B' ' 31' ' ' ILE . 23.7 mt -109.09 133.28 54.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.165 0.507 . . . . 10.0 111.862 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tt -141.04 139.67 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.805 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -133.68 107.81 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.492 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.5 102.87 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.493 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.1 mpt? -110.49 95.45 5.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.615 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.71 95.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.35 112.41 4.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.743 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.91 109.87 2.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 ' HA3' ' I' ' 33' ' ' GLY . 13.5 t -116.21 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.904 0.383 . . . . 10.0 110.034 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.647 179.482 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.674 0.273 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.61 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 9.3 t -104.82 109.55 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -114.04 116.46 29.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.654 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -123.98 115.11 20.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.129 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -129.34 120.32 25.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.194 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 61.5 mtpt -124.71 123.54 40.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.338 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.468 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -118.48 111.13 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.541 HG23 HG13 ' C' ' 18' ' ' VAL . 2.3 m -121.53 115.82 47.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 10.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.3 128.12 55.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.814 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -108.28 123.82 49.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.816 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.79 106.92 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.851 0.358 . . . . 10.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -103.27 124.97 49.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -116.0 154.76 29.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.779 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.734 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.8 t -135.11 20.42 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.446 0.641 . . . . 10.0 109.301 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.624 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -67.89 83.39 0.16 Allowed Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.61 -0.723 . . . . 10.0 113.254 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -69.11 -23.04 63.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.528 0.204 . . . . 10.0 111.266 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -133.75 107.25 7.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.659 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 96.7 mttt 63.95 108.38 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.07 -13.86 82.9 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.641 -0.984 . . . . 10.0 110.641 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.68 -105.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.091 0.774 . . . . 10.0 113.091 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 84.1 mt -143.54 101.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 10.0 110.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.734 HG22 HG12 ' C' ' 32' ' ' ILE . 49.5 pt -115.05 137.86 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.694 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.32 134.89 7.28 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.349 -0.929 . . . . 10.0 113.471 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.551 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.6 mp -132.44 114.36 14.23 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.493 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -113.39 126.29 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.352 0.596 . . . . 10.0 111.693 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.26 126.62 74.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.653 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.11 99.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.971 -0.633 . . . . 10.0 111.75 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.92 108.93 2.48 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.842 -0.694 . . . . 10.0 111.73 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.41 HG21 ' HA3' ' J' ' 33' ' ' GLY . 21.1 t -116.37 117.82 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.878 0.37 . . . . 10.0 110.524 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.588 HG11 ' HE1' ' A' ' 13' ' ' HIS . 58.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.705 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.17 114.82 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.54 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -118.85 118.7 32.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.466 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -123.3 110.62 15.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.244 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -119.0 119.38 34.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.06 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -124.34 122.73 38.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.001 0.429 . . . . 10.0 111.701 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.25 117.89 31.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.541 HG13 HG23 ' B' ' 18' ' ' VAL . 2.6 t -125.69 116.59 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.41 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -121.88 129.44 52.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.67 0.272 . . . . 10.0 111.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -112.55 121.12 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.442 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.1 108.02 10.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 10.0 110.061 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -112.31 120.22 40.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.019 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.9 OUTLIER -115.72 158.09 23.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' D' ' 26' ' ' SER . 2.6 t -134.62 25.18 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.069 0.462 . . . . 10.0 109.939 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -70.86 83.45 0.39 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 116.131 -0.486 . . . . 10.0 113.479 -178.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.734 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 2.3 m -63.67 -16.09 60.08 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -137.84 112.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.684 -0.235 . . . . 10.0 111.397 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.715 ' O ' ' HA ' ' D' ' 28' ' ' LYS . 99.0 mttt 59.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.42 -19.34 70.6 Favored Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.62 -128.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 123.433 0.693 . . . . 10.0 112.489 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 3.1 mt -124.51 107.42 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.171 0.51 . . . . 10.0 111.704 -178.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.734 HG12 HG22 ' B' ' 32' ' ' ILE . 19.3 pt -118.45 137.79 51.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.076 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.3 126.88 4.71 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.346 -0.93 . . . . 10.0 113.199 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.551 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -121.74 116.35 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.724 ' HG3' ' HA3' ' K' ' 37' ' ' GLY . 14.6 mmt -114.27 121.65 44.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.945 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.2 111.07 33.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.454 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.47 114.83 3.25 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.202 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 111.56 1.71 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.25 119.55 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 10.0 110.545 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' B' ' 40' ' ' VAL . 64.4 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' E' ' 11' ' ' GLU . 26.8 mt-10 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.673 0.273 . . . . 10.0 110.764 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.07 107.07 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -110.69 119.78 40.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.8 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.59 111.48 17.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.212 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -122.55 121.43 36.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.497 ' HB2' ' HG3' ' E' ' 16' ' ' LYS . 43.5 mttp -129.38 124.38 34.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.155 0.502 . . . . 10.0 111.456 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -113.33 117.78 32.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.841 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 3.7 t -123.57 117.83 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.795 0.331 . . . . 10.0 110.51 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -123.82 126.46 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 10.0 111.555 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -108.07 117.82 35.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.414 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.78 110.57 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -119.36 120.46 36.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.445 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -116.37 159.37 22.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.45 10.03 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.184 0.516 . . . . 10.0 111.157 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.413 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -63.05 101.07 0.39 Allowed Glycine 0 C--O 1.219 -0.784 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.661 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.715 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 1.5 m -74.91 -5.79 45.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -143.47 112.27 6.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.924 -0.31 . . . . 10.0 111.75 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.715 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 97.7 mttt 62.02 101.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.16 76.63 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.495 -1.042 . . . . 10.0 110.495 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.87 -112.14 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.753 0.821 . . . . 10.0 113.193 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.599 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 52.9 mt -137.88 107.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 10.0 111.806 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.441 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.2 pt -115.2 143.13 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.946 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.23 110.51 0.78 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.364 -0.922 . . . . 10.0 113.261 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.08 117.43 34.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.592 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.8 mmt -116.24 111.16 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.052 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 t -107.84 119.46 57.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.686 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.22 106.13 0.84 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.883 -0.675 . . . . 10.0 112.263 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.42 115.71 3.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.945 -0.645 . . . . 10.0 111.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.56 120.3 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 10.0 110.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.205 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.537 ' HB2' ' HG2' ' D' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.871 0.367 . . . . 10.0 110.243 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.74 110.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.181 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -113.33 120.44 41.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.969 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -120.65 107.43 12.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.797 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.03 124.81 49.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.0 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.497 ' HG3' ' HB2' ' D' ' 16' ' ' LYS . 67.8 tttt -138.06 126.51 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.853 0.358 . . . . 10.0 110.859 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' F' ' 17' ' ' LEU . 5.7 mp -123.67 122.47 38.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.05 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 9.1 t -126.62 122.08 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.372 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.456 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -118.5 133.53 55.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.52 110.8 20.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.25 99.03 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -110.66 118.87 37.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.595 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -116.43 162.04 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.721 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.49 39.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' F' ' 26' ' ' SER . . . -61.12 179.75 3.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.649 -0.705 . . . . 10.0 114.12 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -152.58 -38.27 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.545 -0.327 . . . . 10.0 110.248 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -138.2 116.84 12.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 10.0 111.768 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 77.3 mttt 61.07 99.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.55 74.26 Favored Glycine 0 C--N 1.33 0.202 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' F' ' 28' ' ' LYS . . . 77.38 -121.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.48 HD13 ' HB ' ' D' ' 31' ' ' ILE . 6.8 mm -122.94 111.83 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.732 0.301 . . . . 10.0 111.702 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.31 130.77 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.827 0.346 . . . . 10.0 110.343 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.0 128.28 5.98 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.57 -0.824 . . . . 10.0 112.98 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.8 115.43 23.84 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.46 112.13 21.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.045 0.45 . . . . 10.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.3 110.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.947 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.17 110.34 2.16 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.058 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 114.24 2.56 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.727 -0.749 . . . . 10.0 111.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.7 t -116.02 114.34 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.66 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' G' ' 12' ' ' VAL . 4.3 p -134.13 109.52 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.418 0.627 . . . . 10.0 110.734 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.438 ' HE2' ' HB2' ' F' ' 15' ' ' GLN . 64.5 t60 -117.8 125.99 51.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.221 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.28 107.05 11.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.876 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.438 ' HB2' ' HE2' ' F' ' 13' ' ' HIS . 45.8 tt0 -114.3 121.02 42.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.546 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' HG2' ' G' ' 16' ' ' LYS . 91.8 mttt -127.03 121.83 32.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' E' ' 17' ' ' LEU . 5.1 mp -121.68 118.56 29.44 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.545 HG13 HG13 ' G' ' 18' ' ' VAL . 6.6 p -132.17 123.51 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.305 0.574 . . . . 10.0 111.382 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 7.5 m-85 -119.54 130.02 54.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -107.61 117.01 32.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.268 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 103.98 8.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.77 -0.455 . . . . 10.0 109.77 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -120.05 122.47 41.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.349 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -121.32 167.18 13.04 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' G' ' 24' ' ' VAL . 2.3 t -129.99 15.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 10.0 110.223 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -59.87 120.42 22.68 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 121.201 -0.524 . . . . 10.0 111.872 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.446 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.1 m -97.75 -9.82 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.81 127.08 12.15 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.973 -0.455 . . . . 10.0 111.999 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 17.2 tptm 57.72 89.74 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 124.155 0.909 . . . . 10.0 112.963 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.18 -20.45 67.2 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.532 -0.842 . . . . 10.0 111.518 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.739 0.815 . . . . 10.0 113.038 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 21.2 mt -135.21 110.61 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 10.0 111.44 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -124.6 130.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.217 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 129.3 6.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.741 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.56 106.99 12.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.425 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -109.91 117.83 34.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.093 0.473 . . . . 10.0 111.606 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -115.33 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.764 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 111.34 1.95 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.003 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.19 114.31 2.56 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.674 -0.774 . . . . 10.0 111.991 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.58 127.55 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 6.5 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 111.278 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.451 ' HA ' HG13 ' F' ' 12' ' ' VAL . 3.4 t -107.91 110.18 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.58 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -121.87 114.78 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.774 0.321 . . . . 10.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -118.78 113.53 21.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.114 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -124.45 120.41 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.553 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 49.5 mtmt -129.18 125.52 37.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 10.0 111.591 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.43 121.11 40.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.8 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.545 HG13 HG13 ' F' ' 18' ' ' VAL . 5.2 t -126.58 117.98 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.569 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.28 125.47 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.726 0.298 . . . . 10.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.88 115.33 29.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.676 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.74 113.37 18.5 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.52 116.19 15.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 10.0 111.645 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -125.11 137.77 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' F' ' 24' ' ' VAL . 2.6 t -93.25 61.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.014 0.435 . . . . 10.0 110.309 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -63.79 172.09 15.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.028 -0.606 . . . . 10.0 113.114 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -149.12 -51.29 0.15 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.291 0.567 . . . . 10.0 109.777 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -139.39 120.61 14.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.631 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 29.0 ttmt 66.47 99.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.994 0.809 . . . . 10.0 112.743 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.79 -14.77 79.76 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.16 -132.58 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.671 0.788 . . . . 10.0 112.655 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' H' ' 31' ' ' ILE . 41.4 mt -122.67 107.28 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.447 . . . . 10.0 111.473 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 54.2 mt -120.54 126.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.237 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.34 122.8 4.91 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.341 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -107.93 121.0 43.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.568 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 20.0 mmt -118.45 109.05 15.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.91 0.386 . . . . 10.0 111.047 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.456 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.6 t -107.48 110.58 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.139 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.444 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -116.44 111.0 2.25 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.3 118.26 3.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.087 -0.577 . . . . 10.0 111.721 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -122.72 118.95 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.715 0.293 . . . . 10.0 110.43 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 42.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.457 0.17 . . . . 10.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.42 96.38 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -102.15 130.28 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.827 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -129.7 99.76 5.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.794 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -119.56 123.61 44.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 4.5 ptmt -138.0 131.17 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.021 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -121.42 118.74 30.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.369 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 84.5 t -124.97 123.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 10.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -123.54 137.02 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -112.85 107.66 16.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.22 114.3 27.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -131.21 133.36 45.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.577 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -151.22 174.65 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' G' ' 24' ' ' VAL . 11.0 t -138.09 72.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.453 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -91.04 81.43 1.3 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.953 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -56.58 -48.96 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 10.0 110.994 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -126.07 107.41 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' G' ' 28' ' ' LYS . 32.1 ttpt 66.55 97.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.301 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 2.98 42.9 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.888 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.57 -164.97 0.19 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.121 0.568 . . . . 10.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 63.7 mt -95.39 113.58 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.064 0.459 . . . . 10.0 110.668 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 mt -118.15 132.94 66.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.762 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.444 ' HA3' HG21 ' P' ' 39' ' ' VAL . . . -132.15 111.65 1.07 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.564 -0.827 . . . . 10.0 112.493 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 73.7 mt -105.92 107.04 17.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.913 0.387 . . . . 10.0 110.056 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.568 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.1 mpt? -110.83 119.42 39.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.956 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.446 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 7.4 p -120.25 128.06 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.075 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.434 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -127.85 122.8 4.25 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.369 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.87 117.67 2.53 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.255 -0.738 . . . . 10.0 111.255 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.92 116.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.709 -0.662 . . . . 10.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.656 0.265 . . . . 10.0 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -104.6 112.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.09 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -114.71 116.02 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 10.0 111.287 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.51 106.83 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -133.92 130.45 37.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.263 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -144.01 130.41 19.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.488 . . . . 10.0 111.783 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.429 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.3 mp -120.39 121.36 38.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.391 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -128.19 126.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.911 0.386 . . . . 10.0 111.104 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -115.09 124.42 51.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.645 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -103.63 95.44 6.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.71 0.29 . . . . 10.0 110.869 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.05 95.31 7.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.296 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.76 96.16 9.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.766 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.8 146.63 26.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.752 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.492 HG23 ' O ' ' J' ' 23' ' ' ASP . 3.4 t -127.11 36.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 10.0 109.535 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.64 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -74.04 91.66 0.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.972 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -147.56 130.29 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.385 0.612 . . . . 10.0 112.649 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 97.8 mttt 65.86 93.0 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.577 -1.192 . . . . 10.0 113.721 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.14 -27.83 63.39 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.102 -0.799 . . . . 10.0 111.102 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.78 -133.5 0.07 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.3 mm -98.74 140.8 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 10.0 111.68 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -151.91 139.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.977 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.46 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -135.26 113.87 1.17 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.822 -0.704 . . . . 10.0 112.224 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -117.82 99.54 6.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.585 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.0 mpt? -106.79 104.3 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.088 0.471 . . . . 10.0 111.819 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.418 ' HA ' HG13 ' J' ' 36' ' ' VAL . 32.6 t -103.87 99.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.509 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 113.88 4.81 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.679 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.73 95.8 0.69 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.723 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.58 HG21 ' HA3' ' A' ' 33' ' ' GLY . 21.3 t -105.0 96.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.499 . . . . 10.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.618 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' K' ' 11' ' ' GLU . 11.9 tt0 . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.61 109.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.162 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -110.1 118.69 37.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -124.64 111.48 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -124.86 122.26 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 10.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.522 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 91.7 mttt -121.73 125.25 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.7 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.429 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.5 mp -122.68 114.21 20.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.414 HG23 HG13 ' K' ' 18' ' ' VAL . 0.0 OUTLIER -127.58 116.55 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 10.0 111.304 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -117.22 123.03 45.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.725 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.36 123.25 47.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.786 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.25 107.86 9.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.968 0.414 . . . . 10.0 110.69 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -104.17 126.3 51.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.413 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -119.74 150.55 40.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.689 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.4 t -132.37 25.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.64 ' O ' ' HA2' ' I' ' 25' ' ' GLY . . . -69.82 83.21 0.3 Allowed Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 113.049 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -37.48 80.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.319 . . . . 10.0 111.634 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -125.45 114.04 18.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.976 0.361 . . . . 10.0 111.976 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 84.2 mttt 63.72 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.2 -16.6 79.44 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.52 -95.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.79 0.836 . . . . 10.0 112.809 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.1 tt -160.44 102.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.905 0.859 . . . . 10.0 112.295 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.623 HG22 HG12 ' K' ' 32' ' ' ILE . 41.0 pt -113.18 141.41 28.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.764 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -136.11 130.15 5.19 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 10.0 113.092 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.2 mp -128.01 116.45 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.585 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -121.86 120.22 33.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.011 0.434 . . . . 10.0 111.447 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.6 p -121.04 124.48 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.011 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.33 109.21 1.46 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.108 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.62 110.15 2.88 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.256 -0.738 . . . . 10.0 111.256 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -114.17 112.87 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.962 0.41 . . . . 10.0 110.024 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' K' ' 40' ' ' VAL . 58.3 t . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.447 ' HB3' ' HG3' ' J' ' 11' ' ' GLU . 46.5 tt0 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.15 109.54 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -113.53 118.58 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.767 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.55 110.84 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.318 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -122.88 126.17 46.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.68 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 16' ' ' LYS . . . . . 0.522 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 53.7 mtmt -128.72 127.74 42.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 10.0 111.695 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.84 110.6 16.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.493 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.414 HG13 HG23 ' J' ' 18' ' ' VAL . 2.6 t -121.05 117.61 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.661 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.53 129.36 52.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -111.86 114.73 27.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.373 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.73 113.05 17.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.743 0.306 . . . . 10.0 110.205 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -117.55 126.86 53.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.261 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.9 OUTLIER -120.02 156.36 31.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 179.32 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' L' ' 26' ' ' SER . 2.5 t -133.36 24.97 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 25' ' ' GLY . . . . . 0.563 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -70.87 85.88 0.37 Allowed Glycine 0 C--O 1.219 -0.786 0 CA-C-N 116.026 -0.533 . . . . 10.0 113.407 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 26' ' ' SER . . . . . 0.758 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 4.4 m -63.77 -15.02 57.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -138.97 112.99 8.58 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.699 -0.4 . . . . 10.0 111.47 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 90.1 mttt 57.82 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.16 64.4 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.16 -127.74 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 11.7 mt -122.35 104.59 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.393 . . . . 10.0 111.825 -177.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.623 HG12 HG22 ' J' ' 32' ' ' ILE . 14.1 pt -117.36 137.43 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -132.44 127.94 5.03 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.302 -0.951 . . . . 10.0 113.28 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.548 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 5.8 mp -123.57 118.14 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.58 123.52 45.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' J' ' 36' ' ' VAL . 3.8 t -118.34 115.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.786 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 37' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' C' ' 35' ' ' MET . . . -116.24 110.63 2.21 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.04 111.35 2.27 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.724 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.67 117.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.831 0.348 . . . . 10.0 110.536 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' J' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.126 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.038 0.447 . . . . 10.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.84 111.57 34.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.777 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' L' ' 15' ' ' GLN . 47.3 t-80 -114.98 118.85 34.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 10.0 111.119 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -121.3 104.01 9.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.427 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 15' ' ' GLN . . . . . 0.483 ' HB2' ' CE1' ' L' ' 13' ' ' HIS . 34.0 tt0 -115.4 126.61 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.567 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 16' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' M' ' 16' ' ' LYS . 5.9 mttt -131.98 126.84 34.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 10.0 111.644 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -115.61 114.05 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.229 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.4 t -120.73 117.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 10.0 110.298 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.41 128.5 49.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.852 0.358 . . . . 10.0 111.571 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -110.29 123.62 50.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.039 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.07 108.12 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.873 0.368 . . . . 10.0 110.144 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -114.07 119.92 38.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.467 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -113.55 154.75 26.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.701 -1.222 . . . . 10.0 107.701 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.85 11.08 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.126 0.488 . . . . 10.0 111.506 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -63.96 104.34 0.86 Allowed Glycine 0 C--O 1.216 -1.004 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.214 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 2.4 m -80.08 -0.15 34.48 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -148.27 111.89 5.04 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.2 -0.313 . . . . 10.0 111.515 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.679 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.1 mttt 61.41 97.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 114.111 1.152 . . . . 10.0 114.111 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.22 73.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.87 -114.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 33.7 mt -135.57 112.97 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.522 . . . . 10.0 111.976 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 pt -121.59 142.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.43 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.55 119.22 2.14 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.799 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' HB2' ' M' ' 34' ' ' LEU . 7.9 mp -117.75 112.77 20.88 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.28 112.55 22.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.154 0.502 . . . . 10.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.26 116.19 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.351 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.592 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -120.11 107.38 1.31 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.768 -0.729 . . . . 10.0 112.332 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.08 119.31 4.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -120.34 124.92 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 11.1 p . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.286 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 10.0 111.38 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.45 104.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -110.81 123.74 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 111.543 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -124.61 110.34 14.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.076 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -122.36 117.51 26.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 16' ' ' LYS . . . . . 0.482 ' HG2' ' HB2' ' L' ' 16' ' ' LYS . 48.3 mtpt -128.18 122.11 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 10.0 111.086 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.0 117.25 27.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 8.6 t -124.71 122.93 64.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.981 0.419 . . . . 10.0 111.183 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.448 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 8.1 m-85 -116.86 131.79 56.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.226 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.18 104.89 12.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.169 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.9 105.67 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.99 121.92 42.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.154 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -118.64 159.65 23.23 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.2 37.08 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.09 0.471 . . . . 10.0 109.85 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -58.9 174.23 3.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.606 -0.724 . . . . 10.0 113.94 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -145.16 -40.71 0.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.791 0.329 . . . . 10.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.11 122.71 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.1 tppp? 61.41 96.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -21.29 73.46 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 78.29 -120.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.4 mt -131.77 113.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 10.0 111.733 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.404 HG22 HG13 ' N' ' 32' ' ' ILE . 20.0 pt -123.01 141.62 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.085 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.9 127.47 4.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.454 -0.879 . . . . 10.0 113.095 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.406 ' HB2' ' HG ' ' L' ' 34' ' ' LEU . 6.4 mp -122.34 113.18 19.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.84 113.23 23.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.069 0.461 . . . . 10.0 111.334 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.46 112.66 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.09 109.54 2.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.774 -0.726 . . . . 10.0 112.194 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.98 114.35 2.79 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 23.1 t -116.77 117.62 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 11' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' O' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.988 0.423 . . . . 10.0 112.06 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.34 118.74 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.699 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -120.05 123.58 43.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.654 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.56 105.81 10.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.64 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -114.74 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.336 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.26 122.12 28.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.309 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.57 119.65 34.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.921 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.78 121.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.545 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.65 126.22 48.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.87 122.59 46.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.581 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.97 102.93 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -118.43 120.92 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.994 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -119.83 166.71 12.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.504 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 t -128.91 10.07 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.295 0.569 . . . . 10.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 124.87 37.08 Favored Glycine 0 C--O 1.22 -0.781 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.937 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 26' ' ' SER . . . . . 0.565 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 0.8 OUTLIER -103.97 -12.79 16.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.148 0.499 . . . . 10.0 111.995 -178.637 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -143.05 125.03 15.2 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.727 -0.608 . . . . 10.0 111.527 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 0.1 OUTLIER 57.85 93.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.957 0.786 . . . . 10.0 112.872 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.61 66.73 Favored Glycine 0 C--N 1.331 0.251 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.75 -117.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.826 0.85 . . . . 10.0 113.119 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 33.9 mt -136.35 109.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.989 0.423 . . . . 10.0 111.36 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.775 HG22 ' HB ' ' O' ' 32' ' ' ILE . 1.2 pt -126.8 131.34 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.87 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.97 131.63 7.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.019 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.59 105.82 12.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -108.76 117.52 34.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.063 0.459 . . . . 10.0 111.412 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.41 118.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.662 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.425 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -121.92 111.06 1.74 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.55 114.97 2.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.98 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 t -118.06 121.63 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 11' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' N' ' 11' ' ' GLU . 17.2 tt0 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.868 0.366 . . . . 10.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.37 116.73 47.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.705 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -119.49 118.79 32.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.492 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -120.54 113.61 20.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.484 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 15' ' ' GLN . . . . . 0.422 ' HG3' ' HB3' ' P' ' 15' ' ' GLN . 14.2 tt0 -121.19 119.19 31.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.14 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.01 118.56 24.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 111.723 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -116.28 119.61 36.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.886 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.1 t -127.86 125.27 64.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.848 0.356 . . . . 10.0 110.861 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -123.37 128.72 50.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.7 110.03 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.57 111.79 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 10.0 110.068 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 22' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' P' ' 22' ' ' GLU . 27.2 tt0 -130.89 127.06 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.842 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.2 137.42 40.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.846 0.355 . . . . 10.0 110.076 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -90.34 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.151 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 25' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -66.17 171.6 27.68 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.982 -0.627 . . . . 10.0 112.566 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -152.51 -48.2 0.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.098 0.475 . . . . 10.0 110.136 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.63 118.37 11.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.242 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.6 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 96.1 mttt 67.18 100.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.388 0.884 . . . . 10.0 113.388 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.54 -9.05 81.85 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.86 -141.79 0.06 Allowed 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 123.551 0.74 . . . . 10.0 112.393 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' P' ' 31' ' ' ILE . 29.6 mt -116.61 108.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.024 0.44 . . . . 10.0 111.358 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.775 ' HB ' HG22 ' N' ' 32' ' ' ILE . 63.6 mt -122.1 129.41 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.871 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.62 121.04 4.22 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.716 -0.754 . . . . 10.0 112.607 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.45 119.13 38.26 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 19.7 mmt -117.38 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.726 0.298 . . . . 10.0 110.774 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.448 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 6.7 t -107.69 107.4 22.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 37' ' ' GLY . . . . . 0.532 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -114.21 111.81 2.68 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.29 118.83 3.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.197 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.53 123.67 67.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.2 p . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.049 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.9 119.64 41.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.696 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -115.16 127.88 55.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.643 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -121.68 104.21 9.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.764 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLN . . . . . 0.422 ' HB3' ' HG3' ' O' ' 15' ' ' GLN . 48.2 tt0 -111.51 114.88 28.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.104 0.478 . . . . 10.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -116.48 130.91 57.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.984 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' P' ' 17' ' ' LEU . 7.5 tp -138.89 108.94 6.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.263 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 12.3 p -127.02 134.29 66.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.774 0.321 . . . . 10.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -130.05 144.69 51.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -120.96 111.74 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.99 118.17 27.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.469 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 22' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' O' ' 22' ' ' GLU . 0.1 OUTLIER -141.89 142.39 33.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.208 179.804 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -149.88 176.44 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 t -129.05 70.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 25' ' ' GLY . . . . . 0.435 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -91.39 75.5 1.52 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.166 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -57.3 -47.42 81.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -123.14 108.61 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.317 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt 67.3 96.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.741 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.36 -1.27 50.51 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.436 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.33 -174.28 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.611 0.764 . . . . 10.0 112.4 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 63.1 mt -87.61 113.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.205 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -120.41 131.85 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.29 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.26 121.46 3.53 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -117.49 104.56 11.2 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.443 ' HG3' ' HB2' ' O' ' 35' ' ' MET . 1.9 mpt? -104.79 119.09 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.153 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -109.11 125.36 66.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.624 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.41 112.24 1.75 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.681 -0.771 . . . . 10.0 111.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.15 115.3 2.15 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.256 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.444 HG21 ' HA3' ' H' ' 33' ' ' GLY . 26.6 t -126.86 133.96 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 14.9 p . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.107 -0.949 . . . . 10.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 23.1 t -96.45 119.97 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -121.34 105.8 10.87 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -114.87 96.08 5.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.091 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -118.95 116.02 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -131.52 127.77 37.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.948 0.404 . . . . 10.0 111.667 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.64 118.91 29.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.672 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -128.25 120.04 52.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.351 . . . . 10.0 110.947 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -114.56 124.3 51.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.55 99.86 11.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.889 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.7 97.76 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.97 0.415 . . . . 10.0 110.955 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.774 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 8.2 tp10 -81.21 147.53 29.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.1 OUTLIER -143.19 128.36 18.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.31 . . . . 10.0 111.553 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 23' ' ' ASP . 4.1 t -127.24 25.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.614 0.721 . . . . 10.0 109.361 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -71.35 104.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.546 -0.752 . . . . 10.0 112.741 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.91 -30.79 45.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -141.77 119.62 11.9 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 63.1 mttp 61.23 101.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 114.841 1.422 . . . . 10.0 114.841 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -25.68 66.23 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.353 -1.099 . . . . 10.0 110.353 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.01 -130.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.01 129.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.228 0.537 . . . . 10.0 112.19 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -136.68 134.18 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.011 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.559 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -128.78 105.73 0.72 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.945 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.99 97.94 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.532 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.5 mpt? -105.79 113.55 27.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.055 0.455 . . . . 10.0 112.052 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 132.87 59.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.919 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.62 0.25 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.047 -0.597 . . . . 10.0 111.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.46 85.92 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.579 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 ' HA3' ' I' ' 33' ' ' GLY . 7.2 t -90.28 101.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.907 -179.712 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.64 0.257 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.418 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 33.8 t -111.56 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.085 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -115.19 116.24 28.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.819 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -122.14 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.874 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -127.77 116.85 20.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.035 0.445 . . . . 10.0 110.413 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -124.86 118.61 26.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.878 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.85 118.78 37.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.593 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.6 t -127.26 118.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.58 132.55 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.995 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -111.25 114.25 27.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.88 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.6 104.06 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.141 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.774 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 4.2 tt0 -99.75 117.66 34.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.53 144.24 38.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.433 0.458 . . . . 10.0 110.522 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.666 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.1 t -131.16 24.42 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.501 0.667 . . . . 10.0 109.362 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.691 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -69.52 77.04 0.37 Allowed Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.631 -0.713 . . . . 10.0 113.271 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -59.92 -38.86 83.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.04 103.48 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.923 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 95.2 mttt 63.91 105.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.819 1.414 . . . . 10.0 114.819 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -19.6 79.76 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 110.711 -0.956 . . . . 10.0 110.711 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -102.09 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.683 0.793 . . . . 10.0 112.826 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 81.4 mt -139.98 104.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.105 0.478 . . . . 10.0 111.236 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.73 HG22 HG12 ' C' ' 32' ' ' ILE . 44.8 pt -116.79 131.34 69.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.222 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.73 134.42 7.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.218 -0.991 . . . . 10.0 113.498 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.8 mp -131.19 122.54 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.5 mpt? -120.75 118.55 30.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.226 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.57 103.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.068 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.89 114.23 4.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 114.04 1.96 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.832 -0.699 . . . . 10.0 111.803 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 t -113.68 107.79 23.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.732 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' D' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.45 110.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.635 -0.257 . . . . 10.0 110.757 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -113.94 120.71 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.629 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.81 105.44 8.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.595 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.429 ' HG3' ' HB3' ' D' ' 15' ' ' GLN . 19.3 tt0 -118.34 125.55 50.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.958 0.408 . . . . 10.0 110.775 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.54 ' HB2' ' HG3' ' D' ' 16' ' ' LYS . 45.7 mtpt -127.47 123.57 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.941 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.31 110.97 17.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.806 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 5.8 t -123.52 118.15 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.493 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -121.16 128.06 52.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.232 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -107.59 122.05 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.321 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 104.97 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.42 118.45 36.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -109.28 155.09 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.338 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.3 t -134.7 26.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 10.0 109.789 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.691 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.06 75.11 0.34 Allowed Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.691 -0.686 . . . . 10.0 113.99 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 13.9 m -58.1 -23.53 55.15 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -129.69 99.69 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.661 -0.245 . . . . 10.0 111.22 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.0 mttt 65.64 107.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 114.887 1.439 . . . . 10.0 114.887 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.31 -21.08 79.4 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 110.13 -1.188 . . . . 10.0 110.13 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.26 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 25.6 mt -133.91 105.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.057 0.456 . . . . 10.0 111.414 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.73 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -117.21 139.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.368 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.55 3.06 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.433 -0.889 . . . . 10.0 112.84 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.451 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.2 mp -118.46 110.58 17.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.87 120.6 42.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.306 0.574 . . . . 10.0 111.701 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -112.19 124.44 68.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.266 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.71 105.96 0.77 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.004 -0.617 . . . . 10.0 112.114 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.11 115.19 3.18 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.783 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.69 117.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.591 179.784 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.635 ' HB3' ' HG3' ' C' ' 11' ' ' GLU . 7.8 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.934 0.397 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' D' ' 14' ' ' HIS . 4.6 t -114.42 114.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.311 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.427 ' CE1' HG21 ' E' ' 40' ' ' VAL . 76.4 t60 -114.65 119.5 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.226 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.44 ' HD2' HG12 ' D' ' 12' ' ' VAL . 14.4 m-70 -121.05 110.96 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.384 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.429 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 19.7 tt0 -122.6 120.22 33.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.242 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' C' ' 16' ' ' LYS . 1.5 mptt -126.17 122.6 36.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 10.0 111.627 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.38 114.92 25.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.47 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 2.8 t -127.56 119.72 52.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.898 0.38 . . . . 10.0 110.782 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.89 133.04 54.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -115.66 112.83 22.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.64 108.13 13.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.821 0.343 . . . . 10.0 110.189 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.51 124.28 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.126 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.4 OUTLIER -116.36 162.32 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.696 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.0 t -140.73 29.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.659 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -73.1 77.92 0.82 Allowed Glycine 0 C--O 1.218 -0.848 0 CA-C-N 115.913 -0.585 . . . . 10.0 113.887 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.3 OUTLIER -54.56 -25.0 23.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -134.62 111.55 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 96.4 mttt 62.44 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.6 77.69 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -128.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.552 0.741 . . . . 10.0 112.899 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' E' ' 31' ' ' ILE . 65.7 mt -121.27 117.46 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.448 0.642 . . . . 10.0 112.167 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.461 HG22 HG12 ' E' ' 32' ' ' ILE . 16.4 pt -124.64 140.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.97 120.53 2.81 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.985 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.94 115.32 28.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.528 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 17.5 mmt -116.16 109.23 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 10.0 110.995 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.32 109.75 29.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.942 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.92 115.15 3.19 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.366 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.66 118.26 3.15 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.958 -0.639 . . . . 10.0 111.688 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 t -115.71 119.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.68 0.276 . . . . 10.0 110.337 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.383 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.146 0.498 . . . . 10.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 14.0 t -114.01 117.92 56.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.474 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -113.57 122.35 46.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.714 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -123.07 105.63 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.947 0.403 . . . . 10.0 110.591 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -115.9 120.14 38.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.627 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 91.0 mttt -127.88 124.32 37.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.03 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.85 113.99 19.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.256 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 19.3 t -123.55 126.02 72.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.665 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.527 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.96 115.43 29.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.63 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.68 102.31 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.994 0.426 . . . . 10.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -111.69 117.81 33.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.42 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -111.74 166.81 10.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.948 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -132.51 2.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.483 . . . . 10.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' F' ' 25' ' ' GLY . . . -54.42 109.61 1.27 Allowed Glycine 0 C--O 1.215 -1.042 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.001 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.547 ' HA ' ' HA2' ' D' ' 25' ' ' GLY . 1.2 m -96.71 -10.64 26.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -139.38 110.17 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 10.0 111.832 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 32.9 tttt 61.24 94.07 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -21.37 72.32 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.92 -0.872 . . . . 10.0 110.92 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.73 -104.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.869 1.062 . . . . 10.0 113.869 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' D' ' 31' ' ' ILE . 9.9 mm -137.27 117.04 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.333 . . . . 10.0 111.569 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.461 HG12 HG22 ' D' ' 32' ' ' ILE . 5.4 pt -127.6 139.37 52.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.15 123.88 3.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.29 -0.957 . . . . 10.0 113.519 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 80.8 mt -116.46 112.77 21.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.437 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -116.71 111.5 19.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.061 0.458 . . . . 10.0 111.872 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.17 118.32 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.552 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 106.36 1.04 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.193 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.94 117.6 3.98 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.761 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.48 122.15 67.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.896 0.379 . . . . 10.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.78 128.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 10.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -122.57 123.44 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -119.95 107.01 12.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.466 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -119.47 112.56 19.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.0 0.429 . . . . 10.0 109.982 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.627 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 48.0 mtmt -125.51 114.1 18.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 10.0 111.782 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.41 129.74 55.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.711 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.543 HG13 HG13 ' G' ' 18' ' ' VAL . 9.6 p -140.22 123.09 16.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.294 0.569 . . . . 10.0 111.351 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.4 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 5.5 m-85 -116.9 135.95 53.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.483 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -114.71 110.47 19.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.89 117.99 30.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -131.7 122.71 26.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.017 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.29 173.24 7.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' G' ' 25' ' ' GLY . 2.6 t -137.41 10.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.754 0.312 . . . . 10.0 110.414 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -61.51 89.73 0.05 OUTLIER Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.439 -0.41 . . . . 10.0 112.793 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.421 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.0 OUTLIER -68.42 -15.24 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.36 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -137.46 122.01 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 20.2 tptm 62.43 89.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.22 71.21 Favored Glycine 0 N--CA 1.459 0.228 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.548 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.29 -119.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 123.585 0.754 . . . . 10.0 112.786 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 56.7 mt -134.2 107.31 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 10.0 111.752 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.567 HG22 HG12 ' G' ' 32' ' ' ILE . 47.1 pt -121.35 138.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.495 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 134.7 7.22 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.828 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.468 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -124.09 110.84 15.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 1.9 mpt? -110.04 116.31 31.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.138 0.494 . . . . 10.0 110.976 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -112.13 113.6 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.773 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.5 3.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.029 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.3 110.95 1.41 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.85 -0.69 . . . . 10.0 112.22 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -114.37 121.44 66.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.687 0.28 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -110.45 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -113.58 120.37 40.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -125.81 109.36 12.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.467 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -122.55 122.41 38.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.628 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 44.2 mtmt -128.13 123.74 35.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.097 0.475 . . . . 10.0 111.646 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.71 119.83 36.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.996 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' H' ' 18' ' ' VAL . 9.4 t -127.3 123.66 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.525 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.0 131.06 53.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.01 115.03 28.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.407 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.67 104.75 8.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -129.07 122.9 30.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.23 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -131.39 154.72 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.33 66.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.707 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' H' ' 26' ' ' SER . . . -69.21 174.64 33.74 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.081 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.7 -47.34 0.08 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -137.39 114.88 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.222 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 82.7 mttt 69.6 106.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.941 0.775 . . . . 10.0 113.075 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.38 -8.57 86.1 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.419 -1.073 . . . . 10.0 110.419 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 71.13 -142.52 0.06 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.478 0.711 . . . . 10.0 111.926 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.839 ' HB ' HG12 ' H' ' 31' ' ' ILE . 70.0 mt -122.07 103.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 10.0 111.52 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.593 HG22 HG12 ' H' ' 32' ' ' ILE . 41.1 pt -118.46 136.22 56.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.504 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.18 129.79 6.42 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.402 -0.904 . . . . 10.0 112.934 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 7.1 mp -106.26 124.42 49.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.508 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 21.5 mmt -120.54 109.43 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.527 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 15.2 t -108.96 108.88 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.726 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -113.05 104.88 1.6 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.711 -0.756 . . . . 10.0 112.693 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.42 121.58 5.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.951 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.31 123.43 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 92.0 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.527 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.72 116.95 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.696 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -111.89 106.91 15.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.54 116.44 30.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -138.79 130.02 26.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.908 0.385 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 9.5 ptmt -137.32 139.58 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.877 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 118.36 23.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.817 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 59.2 t -128.32 123.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.631 -0.259 . . . . 10.0 110.324 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.18 141.49 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 10.0 110.94 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.79 118.41 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.089 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.15 103.21 8.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.602 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.04 137.89 54.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.584 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.23 -172.84 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.179 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.13 54.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.163 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.94 76.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.45 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' G' ' 25' ' ' GLY . 16.3 m -62.79 -31.89 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -123.18 104.12 8.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.658 0.266 . . . . 10.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.614 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 37.3 ttpt 64.18 98.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.43 -0.804 . . . . 10.0 112.129 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.36 4.42 41.71 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.72 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.39 -172.59 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.149 0.579 . . . . 10.0 112.441 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.839 HG12 ' HB ' ' G' ' 31' ' ' ILE . 74.2 mt -105.89 105.01 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.593 HG12 HG22 ' G' ' 32' ' ' ILE . 46.7 pt -126.79 158.3 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.115 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.36 110.41 0.8 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.447 -0.882 . . . . 10.0 113.257 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.21 99.92 12.3 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 9.8 ptp -114.95 131.31 56.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.205 0.526 . . . . 10.0 112.153 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.4 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 14.1 p -131.92 140.6 47.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.88 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.63 132.98 6.41 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 10.0 112.2 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.86 116.22 1.11 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.397 -0.681 . . . . 10.0 111.397 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.92 122.65 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 2.3 m . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.297 -0.858 . . . . 10.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -94.17 113.06 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.593 ' HE1' HG11 ' J' ' 40' ' ' VAL . 36.6 t60 -114.72 103.67 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.165 0.507 . . . . 10.0 112.044 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.89 97.57 6.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.464 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -131.39 120.02 22.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.927 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HE2' ' J' ' 16' ' ' LYS . 16.8 ptpt -141.43 137.64 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 10.0 111.558 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.21 126.04 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -123.57 115.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.35 111.03 20.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -87.59 110.61 20.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.788 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.04 99.63 8.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.833 0.349 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.835 ' HB3' ' HA ' ' J' ' 22' ' ' GLU . 9.3 tp10 -87.0 143.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -147.8 134.4 19.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.749 0.309 . . . . 10.0 111.22 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.784 ' CG2' ' HA ' ' J' ' 24' ' ' VAL . 18.1 m -134.42 32.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.515 0.674 . . . . 10.0 110.147 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' J' ' 26' ' ' SER . . . -72.43 108.42 2.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.225 -0.898 . . . . 10.0 112.075 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -67.96 -39.49 83.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.577 0.227 . . . . 10.0 110.969 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -151.52 138.37 18.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 74.3 mttt 63.34 86.08 0.12 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-N 114.197 -1.365 . . . . 10.0 113.86 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.61 -26.2 73.55 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.42 -149.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.4 mt -84.58 138.31 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -144.66 136.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.439 -0.801 . . . . 10.0 109.872 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -128.5 111.68 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.51 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -114.47 100.3 8.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.652 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.2 mpt? -106.82 118.29 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 10.0 111.623 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 t -114.12 119.62 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.784 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.64 84.59 0.35 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.808 -0.71 . . . . 10.0 111.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.96 73.85 0.71 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.217 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.559 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.6 t -75.87 96.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.501 . . . . 10.0 110.406 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' J' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.73 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.93 113.68 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.438 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -113.17 116.85 30.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.688 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.82 109.1 13.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -128.6 121.24 28.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.96 0.41 . . . . 10.0 110.928 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.51 ' HE2' ' HD2' ' I' ' 16' ' ' LYS . 95.4 mttt -125.53 123.64 39.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.47 109.98 18.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 t -121.51 117.09 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.933 0.397 . . . . 10.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -118.46 132.63 56.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.33 117.75 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.899 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.61 105.44 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.842 0.354 . . . . 10.0 110.294 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' I' ' 22' ' ' GLU . 13.3 tt0 -102.49 117.76 35.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.612 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.541 ' OD1' ' HA ' ' I' ' 23' ' ' ASP . 0.0 OUTLIER -107.69 144.27 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.581 0.551 . . . . 10.0 110.989 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.784 ' HA ' ' CG2' ' I' ' 24' ' ' VAL . 17.5 t -125.85 18.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 10.0 110.186 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.623 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 80.31 0.11 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.774 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.535 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 1.7 m -68.25 -22.25 64.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -140.98 114.66 8.92 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.347 -0.221 . . . . 10.0 111.079 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 23.4 mmtp 63.64 95.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.97 -18.19 77.54 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.671 -0.972 . . . . 10.0 110.671 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.74 -86.6 0.03 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.863 0.865 . . . . 10.0 112.947 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.3 tt -165.6 104.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.898 0.856 . . . . 10.0 112.198 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.661 HG22 HG12 ' K' ' 32' ' ' ILE . 46.8 pt -113.38 138.68 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.469 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.04 130.8 5.88 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.383 -0.913 . . . . 10.0 113.212 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 5.8 mp -129.04 118.88 23.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.652 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.2 mpt? -123.71 115.54 21.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.964 0.411 . . . . 10.0 111.2 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 p -113.78 114.58 47.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.29 0.567 . . . . 10.0 110.803 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 122.73 5.65 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.71 106.66 0.81 Allowed Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.439 -0.664 . . . . 10.0 111.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -101.92 104.29 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.593 HG11 ' HE1' ' I' ' 13' ' ' HIS . 59.1 t . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.748 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' L' ' 11' ' ' GLU . 11.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.75 0.309 . . . . 10.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.07 113.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.026 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -111.73 115.46 29.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -121.04 102.13 8.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.545 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -117.52 123.84 47.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.927 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -127.15 126.54 43.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.198 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -120.32 111.73 18.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.577 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.15 116.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 10.0 110.624 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -120.76 129.84 53.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.076 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -109.05 117.98 35.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.33 103.79 7.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.021 0.438 . . . . 10.0 110.066 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.84 120.12 40.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.997 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.73 154.94 24.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' L' ' 26' ' ' SER . 4.3 t -134.59 25.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.702 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 25' ' ' GLY . . . . . 0.653 ' HA2' ' O ' ' L' ' 25' ' ' GLY . . . -69.99 75.74 0.46 Allowed Glycine 0 C--O 1.223 -0.571 0 CA-C-N 115.91 -0.586 . . . . 10.0 113.46 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 26' ' ' SER . . . . . 0.7 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 10.0 m -56.18 -32.06 64.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -126.49 107.73 10.52 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.484 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 89.6 mttt 64.49 100.27 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.73 -23.12 78.43 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -119.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 12.9 mt -128.14 104.73 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.661 HG12 HG22 ' J' ' 32' ' ' ILE . 11.9 pt -116.18 140.15 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 121.019 -0.272 . . . . 10.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.38 122.48 3.12 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.343 -0.932 . . . . 10.0 113.022 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.454 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.2 mp -119.25 111.48 18.27 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.86 123.21 48.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.268 0.556 . . . . 10.0 111.601 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 5.9 t -114.55 123.85 70.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.328 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.04 105.77 0.82 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.006 -0.616 . . . . 10.0 112.211 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.37 113.92 2.93 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.949 -0.643 . . . . 10.0 111.66 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 t -112.78 117.56 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 10.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' L' ' 40' ' ' VAL . 24.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 11' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' K' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.708 0.29 . . . . 10.0 110.987 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.53 107.19 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -110.18 117.52 33.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.935 0.397 . . . . 10.0 111.502 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 14' ' ' HIS . . . . . 0.453 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 7.9 m-70 -120.98 106.63 11.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.039 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -120.34 120.47 36.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.364 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 16' ' ' LYS . . . . . 0.453 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -126.48 122.61 35.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 10.0 111.183 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.56 114.35 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.363 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 3.1 t -126.02 119.39 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.876 0.369 . . . . 10.0 110.942 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -121.9 130.89 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.709 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.95 112.03 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.757 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.58 111.75 18.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 10.0 110.066 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.0 121.9 44.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.043 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 23' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' L' ' 25' ' ' GLY . 0.6 OUTLIER -114.91 161.96 17.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.857 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.1 t -139.75 30.37 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 25' ' ' GLY . . . . . 0.653 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -73.65 79.41 0.83 Allowed Glycine 0 C--O 1.22 -0.747 0 CA-C-N 115.959 -0.564 . . . . 10.0 113.974 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 26' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.7 OUTLIER -53.11 -31.25 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.414 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -132.84 116.55 16.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 83.5 mttt 62.27 96.75 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -24.72 76.69 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.52 -122.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.555 0.946 . . . . 10.0 113.555 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 38.5 mt -126.75 115.09 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.369 0.604 . . . . 10.0 112.228 -177.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.492 HG22 HG12 ' M' ' 32' ' ' ILE . 22.5 pt -123.17 138.58 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.995 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.12 123.7 4.51 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.83 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.0 115.63 24.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.19 108.63 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.17 0.509 . . . . 10.0 111.325 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 t -106.74 108.31 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.821 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.528 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.09 113.81 3.15 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.585 -0.817 . . . . 10.0 112.368 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.15 120.44 4.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.046 -0.597 . . . . 10.0 111.743 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -119.42 124.65 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.069 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.083 0.468 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -111.88 113.83 45.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.478 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -111.48 118.93 37.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.589 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -119.49 104.37 10.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.78 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -113.43 118.88 35.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 16' ' ' LYS . . . . . 0.434 ' HD2' ' HE2' ' N' ' 16' ' ' LYS . 88.1 mttt -128.95 117.46 21.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.549 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.89 118.42 31.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.327 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 41.2 t -127.03 124.15 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.637 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.432 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 7.6 m-85 -119.79 130.46 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.992 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -108.24 116.66 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.149 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.6 100.12 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 10.0 110.127 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.09 119.38 39.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.736 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.73 164.65 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.852 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' N' ' 24' ' ' VAL . 3.5 t -131.7 5.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.029 0.442 . . . . 10.0 110.333 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -53.63 106.82 0.5 Allowed Glycine 0 C--O 1.213 -1.164 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.504 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 26' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 0.9 OUTLIER -87.58 -22.1 24.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.82 120.3 17.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' N' ' 28' ' ' LYS . 0.5 OUTLIER 61.82 90.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.188 -0.915 . . . . 10.0 113.204 178.749 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.6 -24.06 72.4 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 111.142 -0.783 . . . . 10.0 111.142 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.793 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 76.62 -115.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 3.7 mp -133.56 119.06 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 10.0 112.003 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.492 HG12 HG22 ' L' ' 32' ' ' ILE . 7.4 pt -127.01 144.0 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.883 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.14 125.02 3.73 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -117.59 108.56 15.62 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.36 113.88 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.442 . . . . 10.0 111.923 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 t -111.0 118.99 58.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.0 106.97 1.12 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.72 -0.752 . . . . 10.0 112.276 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.2 116.09 3.62 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.91 -0.662 . . . . 10.0 111.735 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.65 119.32 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.194 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.578 0.227 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.81 124.82 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.304 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 13' ' ' HIS . . . . . 0.452 ' CE1' HG21 ' O' ' 40' ' ' VAL . 60.3 t60 -124.88 120.25 31.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.62 109.77 16.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -120.75 113.63 20.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 16' ' ' LYS . . . . . 0.434 ' HE2' ' HD2' ' M' ' 16' ' ' LYS . 39.6 mttt -127.09 120.75 29.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 10.0 111.991 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.25 125.29 50.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.747 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -131.01 122.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.438 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HG21 ' P' ' 36' ' ' VAL . 8.7 m-85 -119.85 130.02 54.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.1 112.57 24.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.099 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.46 110.91 16.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -127.64 123.64 36.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.416 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.45 172.62 7.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.3 t -136.89 10.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 10.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -61.01 90.59 0.05 OUTLIER Glycine 0 C--O 1.22 -0.75 0 C-N-CA 121.31 -0.472 . . . . 10.0 112.839 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 1.0 OUTLIER -71.51 -4.16 25.18 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -146.63 118.45 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.991 -0.443 . . . . 10.0 111.981 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.793 ' HD2' ' HB2' ' M' ' 30' ' ' ALA . 7.6 tptp 62.8 91.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.32 -19.79 72.76 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.621 -0.8 . . . . 10.0 111.388 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.23 -113.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' O' ' 31' ' ' ILE . 52.2 mt -140.19 107.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 10.0 111.485 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -123.55 136.52 59.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.703 0.287 . . . . 10.0 110.6 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 135.85 8.3 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 10.0 112.775 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.2 mp -124.05 110.71 15.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -109.97 115.68 30.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 10.0 110.958 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -111.45 113.63 44.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.985 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.61 114.77 3.44 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.013 -0.613 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.41 110.01 1.35 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.193 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.54 123.26 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.014 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.797 0.332 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.41 101.75 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -104.42 122.55 45.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.297 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -128.33 111.27 13.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.054 0.454 . . . . 10.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -121.43 119.04 30.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.373 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -124.48 118.77 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.524 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.92 119.54 35.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.132 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 13.9 t -129.41 125.22 61.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -123.54 132.17 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.954 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -111.15 114.72 28.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.488 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.17 105.97 9.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -130.66 125.75 34.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.342 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -136.22 138.57 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' P' ' 24' ' ' VAL . 0.0 OUTLIER -92.97 63.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.925 0.393 . . . . 10.0 111.499 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 25' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' N' ' 24' ' ' VAL . . . -65.1 174.38 16.3 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.032 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -150.65 -44.62 0.12 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.239 0.542 . . . . 10.0 109.959 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.097 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.56 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 81.6 mttt 68.7 101.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.141 0.793 . . . . 10.0 113.141 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.77 -9.83 86.36 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 70.77 -140.89 0.06 Allowed 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 123.317 0.647 . . . . 10.0 112.096 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.705 HG12 ' HB ' ' N' ' 31' ' ' ILE . 79.0 mt -120.58 107.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.484 0.659 . . . . 10.0 111.863 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.652 HG23 HG23 ' P' ' 32' ' ' ILE . 22.4 mt -116.39 133.31 63.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.252 -0.886 . . . . 10.0 109.629 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.43 119.49 3.08 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.494 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.487 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -101.92 122.27 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.47 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.6 mmt -119.59 107.42 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.669 0.271 . . . . 10.0 110.701 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.432 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 12.1 t -106.91 108.4 25.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 37' ' ' GLY . . . . . 0.508 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -110.5 102.26 1.49 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.508 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.66 117.29 3.91 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.087 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 12.7 t -122.15 121.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.4 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.593 0.235 . . . . 10.0 111.216 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.348 -0.242 . . . . 10.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.1 138.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.089 0.471 . . . . 10.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -127.49 104.01 7.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.66 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.73 98.49 8.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.52 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -111.3 130.56 55.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.826 0.346 . . . . 10.0 110.557 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -129.86 127.93 41.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.922 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 tp -132.84 121.43 22.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.125 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.9 p -141.85 136.87 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.063 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -136.34 141.71 43.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.778 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -116.07 120.94 40.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.79 110.32 10.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.987 0.422 . . . . 10.0 111.147 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -126.92 148.77 50.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.68 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.7 -174.31 4.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.571 ' HA ' HG23 ' O' ' 24' ' ' VAL . 3.1 m -139.47 47.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.942 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 25' ' ' GLY . . . . . 0.425 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -78.96 70.88 2.68 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.784 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -39.35 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 10.0 110.972 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -126.9 109.43 11.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.064 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 28' ' ' LYS . . . . . 0.548 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 9.6 ttmt 65.83 99.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.986 0.803 . . . . 10.0 112.597 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.52 0.19 61.18 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.294 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.75 -171.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.349 0.66 . . . . 10.0 112.657 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.498 HD12 ' HB ' ' O' ' 31' ' ' ILE . 13.9 mm -92.17 111.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.652 HG23 HG23 ' O' ' 32' ' ' ILE . 5.7 tt -134.37 137.32 51.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.022 0.439 . . . . 10.0 110.917 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.99 130.16 7.04 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.506 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.42 102.56 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -98.45 118.82 35.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.898 0.38 . . . . 10.0 111.863 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 36' ' ' VAL . . . . . 0.451 HG21 ' HZ ' ' N' ' 19' ' ' PHE . 25.8 t -117.2 130.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 37' ' ' GLY . . . . . 0.502 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -135.0 128.05 4.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.123 -1.037 . . . . 10.0 112.824 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.13 114.51 0.81 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.252 -0.739 . . . . 10.0 111.252 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 30.8 t -125.31 121.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.772 0.286 . . . . 10.0 110.48 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 19.2 t -97.91 99.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -107.71 112.64 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.699 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -121.16 106.67 11.75 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.15 128.02 47.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.234 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HB2' ' HD3' ' B' ' 16' ' ' LYS . 83.7 mttt -135.8 129.01 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.924 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -133.38 128.9 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.621 0.724 . . . . 10.0 112.108 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.38 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.407 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -87.9 100.12 12.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.766 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.8 102.26 11.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.725 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.33 117.51 31.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.3 143.94 44.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.034 0.445 . . . . 10.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 23' ' ' ASP . 2.9 t -124.02 32.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.663 0.744 . . . . 10.0 109.072 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.656 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -73.38 88.11 0.6 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.7 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -20.63 55.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -141.95 109.14 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.668 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 91.6 mttt 63.02 96.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.23 -23.61 77.89 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.68 -127.39 0.06 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' HB ' HG12 ' B' ' 31' ' ' ILE . 28.3 mm -109.86 135.91 47.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.019 0.438 . . . . 10.0 111.557 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.12 141.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.856 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -137.16 119.45 1.91 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.446 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.4 mt -116.27 101.36 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.444 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.6 mpt? -106.45 101.42 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.941 0.401 . . . . 10.0 111.829 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.37 112.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.755 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.29 90.71 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.036 -0.602 . . . . 10.0 112.486 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.42 83.3 0.58 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.009 -0.615 . . . . 10.0 111.605 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG21 ' HA3' ' I' ' 33' ' ' GLY . 25.7 t -82.76 109.33 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.892 0.377 . . . . 10.0 110.641 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.7 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.425 0.155 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.518 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 18.7 t -113.84 118.14 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 10.0 110.802 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -120.57 118.9 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.566 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -124.28 108.4 12.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.745 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -120.62 123.01 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.384 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.552 ' HD3' ' HB2' ' A' ' 16' ' ' LYS . 3.8 tppp? -125.2 120.18 30.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.248 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.601 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -114.1 108.39 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.816 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' C' ' 18' ' ' VAL . 2.3 m -119.25 111.22 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 10.0 110.878 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -115.28 127.07 55.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -111.07 110.46 21.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.24 107.99 14.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.923 0.392 . . . . 10.0 110.376 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.75 120.03 40.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.512 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.75 148.35 31.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.656 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.5 t -129.06 26.44 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 10.0 109.538 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.656 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -68.25 78.02 0.23 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.879 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -64.29 -25.84 68.23 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.437 0.295 . . . . 10.0 111.747 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -136.55 108.86 7.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.69 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 79.0 mttt 63.96 103.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 114.319 1.229 . . . . 10.0 114.319 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.07 -19.28 79.95 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 111.071 -0.812 . . . . 10.0 111.071 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.59 -107.02 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.739 0.815 . . . . 10.0 112.939 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 96.6 mt -140.28 105.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.348 0.594 . . . . 10.0 111.363 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.677 HG22 HG12 ' C' ' 32' ' ' ILE . 41.2 pt -120.16 136.66 56.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.299 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.68 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -138.31 135.99 7.81 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.152 -1.023 . . . . 10.0 113.401 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.0 mp -127.47 122.18 32.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.6 mpt? -117.96 115.48 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 10.0 111.116 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.85 106.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.58 110.85 2.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.772 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.32 116.27 2.63 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.541 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -116.35 112.67 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.645 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.63 0.252 . . . . 10.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 t -121.76 116.63 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.047 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -117.59 121.51 41.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -121.69 111.1 16.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.107 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -123.76 119.63 30.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 10.0 110.743 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -124.99 124.08 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.361 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.451 HD13 ' HG ' ' B' ' 17' ' ' LEU . 5.4 mp -114.19 108.44 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.706 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.476 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.7 t -114.79 113.14 42.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -123.7 126.63 46.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 10.0 111.419 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -112.9 125.39 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.584 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.47 100.69 5.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -102.5 111.16 23.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.224 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -104.29 154.22 20.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.742 0.651 . . . . 10.0 109.577 179.516 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.8 t -133.47 27.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.315 0.579 . . . . 10.0 109.48 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.628 ' HA2' ' O ' ' D' ' 25' ' ' GLY . . . -69.07 75.55 0.33 Allowed Glycine 0 C--O 1.225 -0.438 0 CA-C-N 115.635 -0.711 . . . . 10.0 113.846 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.677 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 29.1 m -56.51 -34.08 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -124.5 106.19 9.98 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mttt 65.01 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.374 1.25 . . . . 10.0 114.374 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.07 -17.73 74.02 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.365 -1.094 . . . . 10.0 110.365 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.77 -117.57 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' B' ' 31' ' ' ILE . 36.8 mt -132.35 107.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 10.0 111.852 -178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.677 HG12 HG22 ' B' ' 32' ' ' ILE . 12.0 pt -117.5 139.94 42.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.375 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.32 124.92 3.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -119.54 107.55 13.43 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -111.5 118.87 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.313 0.577 . . . . 10.0 111.628 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 t -112.68 129.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.453 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.76 103.78 0.6 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.018 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.06 110.82 2.59 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.962 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.45 112.28 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.516 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 7.0 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.773 0.321 . . . . 10.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.01 116.7 50.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.431 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -117.67 123.21 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.542 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -122.56 102.56 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.16 121.49 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.171 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' HE2' ' E' ' 16' ' ' LYS . 63.2 mttp -127.84 120.79 28.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.118 0.485 . . . . 10.0 111.789 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' E' ' 17' ' ' LEU . 4.0 mm? -108.55 120.43 42.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.324 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 0.2 OUTLIER -128.51 111.55 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.367 . . . . 10.0 110.658 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -122.43 127.19 49.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.89 116.64 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.26 114.74 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 10.0 110.403 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -112.27 121.94 46.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.3 OUTLIER -116.25 158.49 23.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.522 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.9 t -139.3 23.01 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.628 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -69.97 81.47 0.34 Allowed Glycine 0 C--O 1.221 -0.708 0 CA-C-N 115.985 -0.552 . . . . 10.0 113.516 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 14.6 m -59.44 -23.18 62.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -134.0 108.0 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.776 0.287 . . . . 10.0 111.776 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' E' ' 28' ' ' LYS . 91.2 mttt 66.93 104.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 114.135 1.161 . . . . 10.0 114.135 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -17.07 80.28 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.138 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -132.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 46.6 mt -123.7 105.64 15.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 10.0 111.818 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.547 ' HB ' HG12 ' E' ' 32' ' ' ILE . 28.5 pt -118.15 141.3 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.646 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 131.11 6.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.422 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.23 119.32 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.538 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.3 mmt -117.56 110.53 18.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.545 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 t -109.77 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.4 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -111.33 116.94 4.36 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.56 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.19 119.08 3.31 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.637 -0.585 . . . . 10.0 111.637 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -117.2 120.68 65.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.981 0.419 . . . . 10.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.239 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.78 111.79 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.772 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -116.15 120.76 40.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.844 0.354 . . . . 10.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.91 114.89 24.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.337 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.57 116.5 23.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 10.0 110.211 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.42 ' HE2' ' HD2' ' D' ' 16' ' ' LYS . 95.0 mttt -124.78 128.22 48.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.183 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.569 ' HB2' HD13 ' D' ' 17' ' ' LEU . 5.0 mp -126.35 107.8 10.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.014 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 11.5 t -114.24 119.39 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.681 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.426 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 12.9 m-85 -120.27 129.73 54.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.309 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -111.43 117.68 33.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.535 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.13 101.26 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -110.46 123.44 49.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.933 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.33 161.76 25.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.788 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' F' ' 26' ' ' SER . 1.9 t -136.18 28.64 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.845 0.355 . . . . 10.0 110.23 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.579 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -69.73 79.46 0.35 Allowed Glycine 0 C--O 1.222 -0.655 0 CA-C-N 116.335 -0.393 . . . . 10.0 113.024 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.4 m -53.7 -27.99 31.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.078 0.769 . . . . 10.0 113.078 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -129.08 106.69 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.936 -0.306 . . . . 10.0 111.173 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 80.5 mttt 68.55 100.62 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.179 1.177 . . . . 10.0 114.179 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.26 -24.05 74.84 Favored Glycine 0 CA--C 1.518 0.22 0 N-CA-C 110.172 -1.171 . . . . 10.0 110.172 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.48 -143.34 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 11.4 mm -102.1 114.92 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 10.0 111.921 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.547 HG12 ' HB ' ' D' ' 32' ' ' ILE . 1.2 pt -125.9 141.91 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.49 118.65 1.82 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.406 -0.902 . . . . 10.0 112.931 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -111.06 111.59 22.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.513 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -114.44 111.91 22.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.025 0.441 . . . . 10.0 111.844 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -108.1 124.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.81 103.47 0.58 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 10.0 112.217 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.26 116.55 3.85 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.003 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.443 HG21 ' HA3' ' M' ' 33' ' ' GLY . 27.3 t -118.68 115.88 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.756 0.313 . . . . 10.0 110.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.403 HG12 ' CG1' ' F' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.906 0.384 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.41 117.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.516 0.674 . . . . 10.0 110.672 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -119.86 123.26 43.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.722 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.04 113.36 19.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.495 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -119.33 112.44 19.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.917 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -120.29 114.92 22.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.55 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.35 126.33 55.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.681 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.96 119.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.457 0.646 . . . . 10.0 111.498 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.507 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 8.0 m-85 -120.16 132.96 55.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.757 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -116.61 108.25 15.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.81 110.17 19.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -125.86 121.72 34.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -118.44 163.64 16.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 2.1 t -128.65 9.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.995 0.426 . . . . 10.0 110.653 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -56.6 108.98 1.36 Allowed Glycine 0 C--O 1.215 -1.061 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.846 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 0.7 OUTLIER -82.82 -11.23 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.08 0.77 . . . . 10.0 113.08 -177.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -141.22 119.27 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.528 0.566 . . . . 10.0 112.528 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.733 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 15.4 tptm 59.54 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.75 -10.32 71.65 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.48 -108.31 0.11 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 24.7 mt -140.65 108.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.956 0.408 . . . . 10.0 111.259 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.651 HG22 ' HB ' ' G' ' 32' ' ' ILE . 12.7 pt -125.69 134.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.025 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.72 136.47 8.67 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.693 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -126.48 109.86 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 2.0 mpt? -108.98 121.77 45.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.978 0.418 . . . . 10.0 111.072 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.88 113.11 41.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.12 113.63 3.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.985 -0.626 . . . . 10.0 111.989 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.14 113.62 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.124 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.84 125.29 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 5.2 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.679 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.958 0.409 . . . . 10.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -116.89 95.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -111.21 124.81 52.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.874 0.369 . . . . 10.0 111.264 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -125.76 104.67 8.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.956 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -112.24 131.87 55.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.373 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -133.76 127.63 33.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.957 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.96 110.55 17.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.001 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -115.13 111.67 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.619 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -122.53 124.43 43.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.778 0.323 . . . . 10.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -116.08 125.2 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 105.71 6.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.524 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -124.98 119.91 30.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.23 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -126.68 132.7 51.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.4 t -87.67 61.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.17 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -65.26 172.06 22.85 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.325 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 7.4 m -148.63 -55.3 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.421 . . . . 10.0 109.885 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -125.96 111.86 15.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.733 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 45.5 mtmt 64.34 107.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.83 -15.33 78.14 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.81 -0.916 . . . . 10.0 110.81 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.844 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 75.36 -129.68 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 113.145 0.795 . . . . 10.0 113.145 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 54.3 mt -121.64 108.88 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.207 0.527 . . . . 10.0 111.544 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.651 ' HB ' HG22 ' F' ' 32' ' ' ILE . 56.1 mt -122.18 127.71 75.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.105 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.22 124.01 4.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.453 -0.879 . . . . 10.0 112.889 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 6.6 mp -108.13 125.45 51.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.533 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 17.5 mmt -122.88 104.78 9.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.931 0.396 . . . . 10.0 110.981 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.426 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 20.7 t -102.25 112.97 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -117.24 109.69 1.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.349 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.47 119.82 4.1 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.009 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 37.8 t -123.48 118.84 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 61.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.99 123.86 66.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.644 0.259 . . . . 10.0 110.701 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -128.51 119.96 25.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 10.0 110.841 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.25 111.35 18.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.805 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -126.58 125.68 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.373 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -134.89 134.02 40.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 10.0 111.977 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.82 127.48 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.018 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -129.2 111.11 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.146 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.09 126.2 45.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -120.91 113.38 20.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.6 120.38 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.707 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.69 147.74 52.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.132 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -155.59 172.51 18.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.731 -0.213 . . . . 10.0 110.511 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' G' ' 24' ' ' VAL . 2.4 t -129.23 75.19 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.032 0.444 . . . . 10.0 109.983 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.492 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -86.61 78.59 1.9 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.0 -0.546 . . . . 10.0 112.094 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.102 0.477 . . . . 10.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -130.14 104.97 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.465 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.844 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 26.9 ttpt 68.54 111.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.862 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.99 8.27 67.37 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.003 -0.618 . . . . 10.0 111.768 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.3 -158.7 0.32 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.13 0.572 . . . . 10.0 112.124 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 46.0 mt -105.68 107.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.167 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.11 141.79 42.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.23 129.99 6.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.895 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 49.0 tp -112.67 101.46 9.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.533 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.2 mpt? -106.99 135.28 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.923 0.392 . . . . 10.0 111.144 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.507 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 5.5 p -135.94 131.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.779 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.44 115.61 1.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.555 -0.831 . . . . 10.0 112.672 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.69 112.69 1.81 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.835 -0.698 . . . . 10.0 111.705 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 22.5 t -119.83 126.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.528 -0.748 . . . . 10.0 111.078 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' J' ' 12' ' ' VAL . 22.8 t -103.21 104.74 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -106.47 116.11 31.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.375 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -127.33 100.94 6.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -131.89 126.42 34.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.767 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' I' ' 16' ' ' LYS . 12.0 ptpt -140.63 134.01 29.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.155 0.502 . . . . 10.0 111.751 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.449 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.0 mp -119.88 117.03 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.452 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -121.72 121.89 65.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.951 0.405 . . . . 10.0 110.801 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -115.28 115.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.22 110.95 23.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.59 93.07 3.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.932 0.396 . . . . 10.0 111.36 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.13 112.18 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.98 140.34 46.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.415 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.794 HG22 ' HA ' ' J' ' 24' ' ' VAL . 27.3 m -122.38 33.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.607 0.718 . . . . 10.0 110.516 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -71.82 95.41 0.63 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.007 -0.997 . . . . 10.0 111.661 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -32.24 73.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.21 134.94 19.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 68.9 mttm 61.95 82.76 0.16 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.536 -1.211 . . . . 10.0 113.262 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.13 -26.37 73.38 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.91 -138.27 0.07 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 13.1 mm -97.83 137.51 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 10.0 112.21 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -148.11 141.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.498 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -138.77 120.3 1.91 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.435 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.74 107.61 13.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.534 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.4 mpt? -113.17 111.92 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 10.0 111.932 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.83 116.52 52.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.079 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.97 88.04 0.43 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.094 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 80.26 0.48 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.038 -0.601 . . . . 10.0 111.682 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.91 ' HB ' HG12 ' J' ' 39' ' ' VAL . 28.6 t -85.76 104.89 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.188 0.518 . . . . 10.0 110.462 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.591 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' K' ' 11' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.851 0.357 . . . . 10.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' I' ' 12' ' ' VAL . 27.1 t -114.27 117.2 54.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.638 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -117.11 117.66 30.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -122.1 106.43 11.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.224 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -120.11 123.41 43.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.73 123.44 35.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.375 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.509 ' HG ' HD13 ' K' ' 17' ' ' LEU . 5.6 mp -117.24 111.71 19.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.8 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 114.07 41.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.391 0.615 . . . . 10.0 111.284 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.51 122.61 45.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -106.31 114.59 28.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.891 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 109.02 13.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.819 0.342 . . . . 10.0 110.347 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -102.85 119.93 39.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.992 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.88 144.12 38.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.591 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.794 ' HA ' HG22 ' I' ' 24' ' ' VAL . 13.3 t -125.73 22.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.44 0.638 . . . . 10.0 109.663 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -70.09 67.58 0.67 Allowed Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.677 -0.692 . . . . 10.0 113.362 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.443 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 0.1 OUTLIER -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.047 0.758 . . . . 10.0 113.047 -179.294 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -130.57 110.14 11.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.054 -0.258 . . . . 10.0 111.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.695 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 11.4 mmmt 64.83 98.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.345 0.869 . . . . 10.0 113.345 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.51 -16.64 77.56 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.395 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.81 -95.01 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.612 0.765 . . . . 10.0 112.753 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 14.5 tt -160.52 106.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.811 0.815 . . . . 10.0 112.555 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.62 HG22 HG12 ' K' ' 32' ' ' ILE . 46.0 pt -116.86 142.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.419 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.81 131.51 5.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.347 -0.93 . . . . 10.0 113.1 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.599 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.4 mp -125.41 119.34 28.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.534 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.3 mpt? -122.48 109.66 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.01 0.433 . . . . 10.0 111.016 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.474 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.0 p -112.1 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.096 0.474 . . . . 10.0 110.52 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.55 125.04 6.52 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.973 -0.632 . . . . 10.0 111.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.51 115.64 1.4 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.866 -0.683 . . . . 10.0 111.539 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.91 HG12 ' HB ' ' I' ' 39' ' ' VAL . 3.9 m -114.56 119.13 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.112 0.482 . . . . 10.0 110.865 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' K' ' 40' ' ' VAL . 47.1 t . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.568 ' HB2' ' HG3' ' J' ' 11' ' ' GLU . 50.0 mt-10 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.92 0.391 . . . . 10.0 111.336 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.97 111.95 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.843 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 13' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' K' ' 15' ' ' GLN . 33.3 t-80 -113.95 124.41 52.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.439 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -122.19 112.22 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.975 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.539 ' HB2' ' CE1' ' K' ' 13' ' ' HIS . 25.4 tt0 -123.68 119.59 30.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.939 0.4 . . . . 10.0 110.655 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -123.83 125.38 44.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.509 HD13 ' HG ' ' J' ' 17' ' ' LEU . 5.5 mp -116.97 105.26 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.501 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 t -113.72 115.19 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.662 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.51 122.99 39.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.935 0.398 . . . . 10.0 111.329 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -108.75 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.107 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.5 104.93 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 10.0 110.19 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' L' ' 23' ' ' ASP . 34.0 tt0 -105.02 115.97 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.21 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -108.04 155.29 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.437 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.754 ' O ' ' HA ' ' L' ' 26' ' ' SER . 7.4 t -134.12 25.92 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.152 0.501 . . . . 10.0 109.754 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 25' ' ' GLY . . . . . 0.644 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -68.8 74.34 0.33 Allowed Glycine 0 C--O 1.224 -0.507 0 CA-C-N 116.01 -0.541 . . . . 10.0 114.04 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 26' ' ' SER . . . . . 0.711 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 8.0 m -52.89 -37.48 60.58 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -123.68 113.41 18.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.206 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.695 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 88.5 mttt 61.48 98.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.81 -18.23 74.0 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.342 -1.103 . . . . 10.0 110.342 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.07 -120.13 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.329 0.862 . . . . 10.0 113.329 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 14.2 mt -130.28 105.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 10.0 111.837 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.62 HG12 HG22 ' J' ' 32' ' ' ILE . 8.9 pt -116.66 137.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.27 124.99 4.29 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 113.058 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.599 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -119.68 109.18 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -113.37 123.46 50.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 10.0 111.424 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.474 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -116.9 128.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.575 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.86 102.51 0.62 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.151 -0.547 . . . . 10.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.74 107.66 2.16 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.783 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 t -108.2 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' J' ' 40' ' ' VAL . 34.8 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.653 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 10.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 t -122.24 106.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -112.93 123.23 49.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.324 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -122.82 104.55 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.652 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -112.51 120.66 42.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -128.24 118.58 23.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.993 0.425 . . . . 10.0 111.862 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.7 mm? -107.95 118.23 36.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.362 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 0.6 OUTLIER -126.09 110.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.023 0.439 . . . . 10.0 110.935 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.46 131.08 54.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.908 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.9 119.61 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.93 113.57 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -111.32 121.26 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.584 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -116.56 159.11 22.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 10.0 109.98 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.8 t -139.77 22.61 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 25' ' ' GLY . . . . . 0.626 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -70.45 78.92 0.44 Allowed Glycine 0 C--O 1.219 -0.785 0 CA-C-N 115.857 -0.61 . . . . 10.0 113.632 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 26' ' ' SER . . . . . 0.754 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 14.4 m -59.7 -23.99 63.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -129.06 105.77 8.42 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.311 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.9 mttt 65.48 103.49 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 114.343 1.238 . . . . 10.0 114.343 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.69 -18.15 78.53 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.83 -0.908 . . . . 10.0 110.83 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.21 -133.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.591 ' O ' ' HA ' ' M' ' 31' ' ' ILE . 47.3 mt -122.67 106.59 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.974 0.416 . . . . 10.0 111.868 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.414 ' HB ' HG12 ' M' ' 32' ' ' ILE . 35.4 pt -118.49 141.2 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.3 129.61 5.94 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.619 -0.801 . . . . 10.0 113.301 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -120.05 119.82 34.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.4 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.5 mpt? -121.85 110.69 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.202 0.525 . . . . 10.0 111.05 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.08 106.29 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.215 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.538 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -111.43 116.83 4.32 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.364 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.03 120.12 3.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.081 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -119.99 124.56 72.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 9.2 p . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.605 0.241 . . . . 10.0 110.79 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 39.3 t -121.17 113.76 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.25 112.08 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.404 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -118.37 114.19 22.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.089 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -124.95 121.8 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.305 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.4 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -120.52 114.72 22.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.1 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.478 ' HB ' HG12 ' N' ' 18' ' ' VAL . 6.9 t -119.02 121.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.463 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.59 130.07 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.346 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -113.2 118.79 35.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.394 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.35 102.85 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 10.0 110.024 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -113.77 126.15 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.285 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.9 161.23 27.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' N' ' 26' ' ' SER . 1.8 t -132.89 29.18 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.813 0.339 . . . . 10.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.626 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -69.11 80.79 0.26 Allowed Glycine 0 C--O 1.223 -0.579 0 CA-C-N 116.281 -0.418 . . . . 10.0 113.396 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 26' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 2.3 m -54.77 -31.97 59.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -124.17 109.72 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.979 0.362 . . . . 10.0 111.979 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.8 tppt? 65.35 95.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.246 -0.888 . . . . 10.0 113.297 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -24.29 69.44 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.293 -0.723 . . . . 10.0 111.293 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' CD ' ' N' ' 28' ' ' LYS . . . 78.78 -143.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.591 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.6 mt -109.69 118.63 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 112.27 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' L' ' 32' ' ' ILE . 3.1 pt -126.28 145.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.918 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 33' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -134.43 121.03 2.57 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.86 108.68 17.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' N' ' 35' ' ' MET . 1.7 mpt? -113.7 113.61 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.005 0.431 . . . . 10.0 111.897 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.54 121.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.584 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 105.86 0.89 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.094 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.65 115.79 3.39 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.768 -0.73 . . . . 10.0 111.739 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.51 121.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.64 0.257 . . . . 10.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 1.6 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.3 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.654 0.264 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.2 118.09 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.942 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -121.28 121.5 37.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.161 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -121.0 117.17 26.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.851 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -121.11 115.23 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.078 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -121.87 120.7 35.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.378 . . . . 10.0 111.366 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.64 121.57 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.358 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' M' ' 18' ' ' VAL . 2.0 m -128.7 119.11 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.107 0.48 . . . . 10.0 111.269 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -121.54 126.42 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -114.25 112.19 22.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.04 108.79 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -123.06 123.22 40.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.684 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -120.87 166.27 14.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.2 t -130.95 11.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.921 0.391 . . . . 10.0 110.395 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -58.87 102.85 0.31 Allowed Glycine 0 C--O 1.215 -1.052 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 26' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 0.8 OUTLIER -80.88 -5.54 57.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -143.38 114.81 8.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 2.4 tppp? 60.59 98.75 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.8 -7.63 66.18 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.663 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.99 -109.03 0.18 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 24.8 mt -141.08 107.85 2.11 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.846 0.355 . . . . 10.0 110.94 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.528 HG22 ' HB ' ' O' ' 32' ' ' ILE . 17.5 pt -125.78 135.31 64.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.663 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.25 137.97 9.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.831 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.1 mp -126.47 111.14 14.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' M' ' 35' ' ' MET . 1.8 mpt? -109.79 119.98 41.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.32 114.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.29 114.28 3.14 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.037 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.18 113.72 2.0 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.009 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 t -117.09 122.16 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.9 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.194 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.839 0.352 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.52 110.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 13' ' ' HIS . . . . . 0.428 ' ND1' ' HB3' ' P' ' 13' ' ' HIS . 61.4 t60 -119.36 130.61 55.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.267 0.556 . . . . 10.0 111.558 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.43 110.97 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.455 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -115.55 125.59 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.523 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -126.32 124.43 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.025 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.64 108.94 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.544 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.51 ' HB ' HG23 ' P' ' 18' ' ' VAL . 9.1 t -118.0 113.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.468 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.38 126.14 46.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.792 0.329 . . . . 10.0 111.236 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -117.16 120.61 38.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.32 103.65 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.406 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -120.69 118.95 31.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.048 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.53 129.43 45.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.941 0.401 . . . . 10.0 110.088 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.429 ' HA ' HG23 ' N' ' 24' ' ' VAL . 6.5 t -85.96 65.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.079 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -65.35 173.2 20.72 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.723 -0.671 . . . . 10.0 112.895 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -152.78 -52.4 0.11 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.407 . . . . 10.0 109.915 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -130.53 116.93 18.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.387 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 93.6 mttt 67.28 107.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.51 -12.27 83.81 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.333 -1.107 . . . . 10.0 110.333 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.698 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 68.45 -135.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.558 0.743 . . . . 10.0 112.67 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 38.6 mt -121.26 107.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.197 0.522 . . . . 10.0 111.439 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.528 ' HB ' HG22 ' N' ' 32' ' ' ILE . 52.2 mt -120.94 128.52 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.753 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.64 121.65 3.7 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.825 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.457 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -104.93 122.69 46.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.556 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.3 mmt -119.74 102.1 8.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.91 0.386 . . . . 10.0 110.655 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 t -101.37 111.03 29.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.136 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -115.6 111.36 2.42 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.476 -0.869 . . . . 10.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.99 118.95 3.45 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.132 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.38 125.59 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.035 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.801 0.334 . . . . 10.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.52 133.89 64.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.094 0.473 . . . . 10.0 111.376 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 13' ' ' HIS . . . . . 0.428 ' HB3' ' ND1' ' O' ' 13' ' ' HIS . 1.3 t-80 -128.43 118.39 23.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.112 -0.495 . . . . 10.0 109.749 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -117.72 109.89 17.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.9 126.69 55.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.981 0.42 . . . . 10.0 110.113 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -126.3 116.87 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.127 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 22.8 tp -122.67 115.35 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.086 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' O' ' 18' ' ' VAL . 13.7 p -132.45 136.31 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 10.0 111.425 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -137.8 134.32 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -119.31 115.66 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.354 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 116.0 20.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.623 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.46 148.08 49.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.911 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -158.05 172.59 18.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.41 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.78 72.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -82.69 85.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.003 -0.617 . . . . 10.0 112.551 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -48.41 81.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.276 0.56 . . . . 10.0 110.755 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -126.97 107.43 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.346 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 28' ' ' LYS . . . . . 0.698 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 13.8 ttmt 70.63 111.67 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.998 0.811 . . . . 10.0 112.913 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.35 3.47 62.6 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.094 -0.574 . . . . 10.0 111.942 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' ALA . . . . . 0.414 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 64.2 -170.0 0.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.268 0.627 . . . . 10.0 112.431 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 59.6 mt -99.15 109.98 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.927 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.422 HG13 HG23 ' O' ' 32' ' ' ILE . 18.1 pt -129.36 145.66 35.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 128.46 5.01 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.881 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -108.06 103.85 13.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.465 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.6 mpt? -103.13 125.93 50.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.731 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -119.81 122.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.549 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.55 102.62 0.83 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.637 -0.792 . . . . 10.0 112.199 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 113.04 2.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.772 -0.728 . . . . 10.0 112.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.42 130.7 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' O' ' 40' ' ' VAL . 1.5 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 39.4 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -104.4 116.26 31.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 10.0 111.772 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -124.51 80.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.99 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -103.1 125.77 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.584 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -135.57 126.32 27.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.098 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -124.26 120.08 31.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 HG13 ' B' ' 18' ' ' VAL . 11.0 p -133.15 128.81 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.417 0.627 . . . . 10.0 111.729 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.24 118.6 31.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.57 109.94 22.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.265 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.56 109.64 21.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 10.0 111.023 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.759 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 5.5 tp10 -96.92 106.19 18.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -106.54 132.79 52.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.728 0.299 . . . . 10.0 111.311 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 23' ' ' ASP . 6.7 t -125.25 29.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.801 0.81 . . . . 10.0 110.082 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -78.03 122.77 6.1 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.796 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -28.72 10.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.706 -0.29 . . . . 10.0 111.613 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -133.9 116.37 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.014 0.376 . . . . 10.0 112.014 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 60.5 mttp 61.27 95.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -19.21 79.92 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.416 -1.074 . . . . 10.0 110.416 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.96 -122.01 0.25 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -121.08 128.66 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 10.0 112.069 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.515 HD12 HD11 ' B' ' 32' ' ' ILE . 2.8 tt -137.61 129.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.99 118.18 3.72 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.918 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.66 105.68 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.2 mpt? -110.88 111.69 23.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.995 0.426 . . . . 10.0 111.455 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.5 t -114.3 110.43 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.73 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.16 106.83 1.1 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.42 95.95 0.53 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.968 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -99.09 127.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 10.0 111.075 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' B' ' 40' ' ' VAL . 26.2 m . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.965 0.412 . . . . 10.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.48 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 21.3 t -110.3 124.5 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.563 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -118.48 115.85 25.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.457 ' HD2' HG12 ' B' ' 12' ' ' VAL . 3.8 m-70 -119.29 114.94 23.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.752 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -130.88 123.43 28.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.201 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.38 122.54 33.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.363 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.441 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.9 mp -114.14 109.08 17.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.449 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' C' ' 18' ' ' VAL . 8.1 t -119.4 118.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -122.6 129.25 51.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.888 0.375 . . . . 10.0 111.324 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -108.65 119.69 40.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.689 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.09 103.58 7.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.703 0.287 . . . . 10.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.759 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 21.4 tt0 -101.62 122.0 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.31 146.31 42.51 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.763 0.665 . . . . 10.0 109.324 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.9 t -128.54 20.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.415 0.626 . . . . 10.0 109.806 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -67.47 85.06 0.14 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.789 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -32.85 72.93 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.707 0.289 . . . . 10.0 111.605 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.75 112.67 16.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 94.8 mttt 61.53 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -19.36 78.1 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 110.829 -0.909 . . . . 10.0 110.829 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.77 -108.64 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.037 0.754 . . . . 10.0 113.037 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 97.1 mt -139.44 105.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.368 0.604 . . . . 10.0 111.608 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.69 HG22 HG12 ' C' ' 32' ' ' ILE . 43.7 pt -119.33 139.3 47.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.086 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.91 136.24 7.86 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.419 -0.896 . . . . 10.0 113.498 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.1 mp -129.22 121.3 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -120.03 119.4 33.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.433 . . . . 10.0 111.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.88 114.48 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.598 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.59 109.78 1.82 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.931 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 116.06 3.17 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.614 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.92 115.19 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.622 ' HB ' HG12 ' A' ' 40' ' ' VAL . 61.1 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.407 . . . . 10.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.44 118.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.773 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -115.34 122.37 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.687 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -124.43 103.75 8.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.708 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -118.67 122.99 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.635 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.47 ' HD3' ' HE3' ' D' ' 16' ' ' LYS . 61.0 mtpt -130.03 127.28 39.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.201 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.11 115.88 24.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.682 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' B' ' 18' ' ' VAL . 2.5 t -126.07 115.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 10.0 110.891 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -117.75 128.46 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.936 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.64 110.22 21.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.13 108.02 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -112.62 115.85 29.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.345 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -107.92 157.03 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.538 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.751 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.4 t -135.03 26.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.235 0.541 . . . . 10.0 109.815 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.648 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.57 77.39 0.37 Allowed Glycine 0 C--O 1.224 -0.509 0 CA-C-N 115.791 -0.64 . . . . 10.0 114.108 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.661 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 0.9 OUTLIER -54.92 -32.12 60.84 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -126.15 113.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.585 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 94.6 mttt 61.05 99.79 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.471 1.285 . . . . 10.0 114.471 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.09 -21.7 77.07 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 110.22 -1.152 . . . . 10.0 110.22 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.35 -116.85 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 18.2 mt -131.73 108.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.957 0.408 . . . . 10.0 111.755 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.69 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -120.43 140.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.129 -0.322 . . . . 10.0 110.129 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.2 127.31 4.32 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.35 -0.929 . . . . 10.0 113.018 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.1 mp -122.23 111.41 16.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -113.68 119.5 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.185 0.517 . . . . 10.0 111.459 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -113.1 122.35 67.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.682 . . . . 10.0 109.625 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.67 109.46 1.24 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.104 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.35 114.86 3.07 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.743 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 t -114.15 114.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.412 ' O ' HD13 ' K' ' 31' ' ' ILE . 80.6 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.464 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 t -125.86 114.65 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.537 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -116.92 122.25 43.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 10.0 111.51 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -122.32 108.75 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.335 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -121.59 125.67 47.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.683 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.624 ' HB2' ' HG2' ' E' ' 16' ' ' LYS . 14.0 mptt -126.04 126.84 44.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 10.0 111.717 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.572 HD13 ' HB2' ' E' ' 17' ' ' LEU . 3.8 mm? -115.13 108.49 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 10.5 t -122.12 117.01 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.33 . . . . 10.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -123.85 128.38 49.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.376 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.62 119.87 40.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.325 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.88 101.98 6.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 10.0 110.042 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -107.92 116.99 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 2.4 t70 -112.67 161.21 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.919 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' E' ' 26' ' ' SER . 1.6 t -138.35 31.02 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.177 0.513 . . . . 10.0 109.69 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.646 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -74.4 75.19 1.21 Allowed Glycine 0 C--O 1.22 -0.761 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.36 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.751 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.8 OUTLIER -54.25 -21.92 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.477 0.918 . . . . 10.0 113.477 -178.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -134.96 109.01 8.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 99.8 mttt 64.61 102.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 -21.06 80.08 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.117 -0.793 . . . . 10.0 111.117 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.97 -117.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.603 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 69.7 mt -132.88 111.09 16.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.352 0.596 . . . . 10.0 112.11 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.5 pt -118.89 143.84 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.897 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.89 119.98 1.94 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.597 -0.811 . . . . 10.0 113.003 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.32 117.56 32.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.587 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 16.4 mmt -116.27 108.47 16.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.048 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -107.97 109.54 28.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.028 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -116.82 114.72 3.09 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.33 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.24 118.25 3.49 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.107 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.52 118.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.878 0.37 . . . . 10.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.43 ' O ' HD13 ' L' ' 31' ' ' ILE . 62.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.036 0.446 . . . . 10.0 110.74 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 t -107.59 99.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.59 121.44 42.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.859 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -123.62 110.58 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.01 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -129.61 122.13 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.043 0.449 . . . . 10.0 111.22 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.791 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 79.1 mttt -128.81 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.252 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.572 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.9 mp -124.15 112.35 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.754 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 14.6 t -122.04 122.34 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.411 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 10.5 m-85 -120.84 133.26 55.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.217 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.22 122.5 47.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.31 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.87 102.64 6.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.975 0.417 . . . . 10.0 109.972 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.54 118.65 37.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.952 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -111.46 164.04 13.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' F' ' 26' ' ' SER . 4.8 t -137.82 10.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 10.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.61 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -60.69 90.59 0.05 OUTLIER Glycine 0 C--O 1.218 -0.866 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.747 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.2 m -69.68 -6.78 33.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -149.37 118.03 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.911 -0.131 . . . . 10.0 111.194 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' F' ' 28' ' ' LYS . 56.2 mttt 58.74 91.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.84 -23.8 67.73 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.705 -0.958 . . . . 10.0 110.705 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.519 ' HB2' ' HG3' ' F' ' 28' ' ' LYS . . . 77.06 -129.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.752 0.821 . . . . 10.0 113.05 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 8.6 mm -114.88 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.399 . . . . 10.0 111.772 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.662 HG22 ' HB ' ' F' ' 32' ' ' ILE . 20.8 pt -130.55 131.93 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.314 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.53 132.38 6.74 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.604 -0.808 . . . . 10.0 113.074 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.76 111.72 17.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.41 ' HB2' ' SD ' ' F' ' 35' ' ' MET . 1.9 mpt? -112.38 115.56 28.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.962 0.411 . . . . 10.0 111.285 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.36 118.06 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.0 109.0 1.54 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.15 -0.547 . . . . 10.0 112.092 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.05 113.94 2.77 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.26 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.89 114.22 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 35.4 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.811 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.023 0.44 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -126.05 118.94 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.315 0.578 . . . . 10.0 111.006 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' F' ' 15' ' ' GLN . 35.2 t60 -113.9 123.98 51.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.352 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -124.34 108.46 12.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.906 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.423 ' HB2' ' NE2' ' F' ' 13' ' ' HIS . 47.0 tt0 -127.94 120.21 27.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.781 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.791 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 54.2 mtmt -131.97 129.17 39.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.102 0.477 . . . . 10.0 111.332 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -121.77 127.04 50.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.798 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.582 HG13 HG13 ' G' ' 18' ' ' VAL . 6.0 p -136.22 120.34 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.482 0.658 . . . . 10.0 111.082 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.401 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 6.9 m-85 -117.65 130.79 56.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.563 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.72 110.96 22.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.508 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.19 99.07 6.63 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -114.1 118.54 34.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.174 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.83 168.2 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 3.3 t -133.67 2.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.806 0.336 . . . . 10.0 110.527 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 103.04 0.19 Allowed Glycine 0 C--O 1.216 -0.996 0 C-N-CA 121.317 -0.468 . . . . 10.0 112.144 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 29.7 m -82.01 6.39 16.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 -177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -155.25 117.72 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' E' ' 28' ' ' LYS . 46.7 tttt 54.52 96.4 0.02 OUTLIER 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.679 1.362 . . . . 10.0 114.679 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -22.35 70.5 Favored Glycine 0 C--N 1.331 0.299 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.76 -104.07 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 29.4 mt -134.88 107.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 10.0 111.402 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' E' ' 32' ' ' ILE . 60.6 mt -126.43 127.78 70.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 10.0 109.881 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.89 135.03 7.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.807 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.458 ' HG ' HD13 ' G' ' 34' ' ' LEU . 5.7 mp -121.35 115.1 22.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.62 ' HG3' ' HA3' ' N' ' 37' ' ' GLY . 16.7 mmt -112.31 116.1 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.838 0.351 . . . . 10.0 110.501 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -116.32 112.39 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.015 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.663 ' HA3' ' HG3' ' N' ' 35' ' ' MET . . . -117.65 114.77 3.02 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.997 -0.62 . . . . 10.0 112.668 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 114.02 2.41 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.0 -0.619 . . . . 10.0 111.99 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 44.7 t -117.53 117.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 4.5 p . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 120.642 0.258 . . . . 10.0 111.308 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.623 0.249 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 106.24 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -114.2 121.7 44.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 10.0 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.87 105.32 9.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.987 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' H' ' 15' ' ' GLN . 16.5 tt0 -123.51 125.62 45.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 10.0 111.024 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 48.6 mtmt -131.9 133.18 44.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.773 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.09 118.82 30.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.582 HG13 HG13 ' F' ' 18' ' ' VAL . 4.4 t -125.88 124.49 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 111.346 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.33 126.41 43.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.4 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -110.57 111.01 21.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.734 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.98 103.5 8.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.51 115.0 20.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.705 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -124.72 125.74 44.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 3.6 t -82.71 65.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.765 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -67.25 170.07 35.03 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.377 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -141.38 -49.12 0.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.059 0.457 . . . . 10.0 109.903 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.23 124.13 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 39.9 ttmt 64.27 98.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 -18.67 77.08 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 110.943 -0.863 . . . . 10.0 110.943 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.34 -120.08 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 58.6 mt -130.55 113.54 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.191 0.52 . . . . 10.0 111.967 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 42.7 mt -125.77 126.16 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 116.11 2.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.622 -0.799 . . . . 10.0 112.448 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.458 HD13 ' HG ' ' F' ' 34' ' ' LEU . 6.1 mp -98.8 125.94 44.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.1 mmt -122.2 113.97 20.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.813 0.339 . . . . 10.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.411 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.5 t -115.31 113.4 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.798 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.52 111.36 2.03 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.422 -0.894 . . . . 10.0 112.926 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 122.94 5.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 17.2 t -125.48 119.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.471 ' O ' HD13 ' O' ' 31' ' ' ILE . 59.6 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.211 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.645 0.259 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.53 123.68 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.381 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -127.0 127.28 44.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.936 0.398 . . . . 10.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -119.71 124.06 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.417 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' G' ' 15' ' ' GLN . 61.4 tt0 -141.5 124.65 16.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 10.0 111.232 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -137.01 117.38 13.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.369 0.604 . . . . 10.0 111.584 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.09 111.0 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 28.8 t -121.02 124.02 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -130.03 140.95 50.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.714 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -118.41 118.52 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.102 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.34 107.18 10.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.065 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.05 137.7 54.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.26 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.03 -175.43 4.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.354 . . . . 10.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.87 56.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.381 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -76.88 81.67 1.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.905 -0.589 . . . . 10.0 112.026 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -57.61 -44.72 85.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 10.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -135.61 118.78 16.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt 67.97 96.28 0.06 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.794 0.684 . . . . 10.0 111.739 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.44 6.75 35.75 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.237 -0.506 . . . . 10.0 112.513 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.27 -159.11 0.3 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.113 0.565 . . . . 10.0 111.815 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 60.1 mt -110.43 104.45 17.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 48.0 pt -121.2 151.51 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.25 111.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.705 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.1 106.97 18.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.603 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 5.5 ptp -120.33 128.05 52.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.097 0.475 . . . . 10.0 112.143 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.401 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 9.9 p -129.67 140.02 50.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.276 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.65 132.17 6.35 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.586 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.23 119.1 2.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.721 -0.551 . . . . 10.0 111.721 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 43.5 t -124.05 124.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.411 HG23 HG13 ' G' ' 40' ' ' VAL . 5.0 m . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.624 0.25 . . . . 10.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 t -94.48 107.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -109.98 110.43 21.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.726 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -120.9 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.317 0.58 . . . . 10.0 109.964 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.406 ' HG3' ' HB3' ' J' ' 15' ' ' GLN . 46.4 tt0 -114.67 133.11 56.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.955 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.513 ' HG3' ' HG2' ' J' ' 16' ' ' LYS . 12.2 ptpt -147.6 137.03 22.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.189 0.519 . . . . 10.0 111.676 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.22 125.11 48.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.685 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -125.47 116.49 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.014 0.435 . . . . 10.0 111.047 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.1 125.94 54.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.47 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.09 107.19 17.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.518 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.97 97.55 7.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.41 . . . . 10.0 110.357 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -96.85 107.89 20.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.839 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -104.86 142.56 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 111.533 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' J' ' 23' ' ' ASP . 5.7 t -129.04 31.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.872 0.844 . . . . 10.0 109.239 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -75.78 121.62 6.38 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.593 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -84.06 -45.02 13.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 10.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.07 141.44 30.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 66.8 mttm 61.1 87.05 0.1 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.546 -1.206 . . . . 10.0 113.365 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 -24.76 75.25 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.46 -137.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.5 129.31 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.13 0.491 . . . . 10.0 112.07 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -138.26 122.55 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.0 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.84 117.68 4.11 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.649 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.44 103.36 9.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.573 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.1 mpt? -111.55 117.83 34.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 10.0 112.031 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -116.53 108.23 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.405 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.92 104.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.433 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 99.89 0.99 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.31 112.11 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.71 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.854 0.359 . . . . 10.0 111.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -121.06 111.2 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -113.51 119.78 38.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.115 0.483 . . . . 10.0 111.576 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -123.54 112.76 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 25.7 tt0 -129.26 126.12 38.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.019 0.437 . . . . 10.0 111.346 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.579 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 58.0 mttt -126.22 126.23 43.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -119.16 101.52 8.06 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.72 117.52 55.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.992 0.425 . . . . 10.0 110.799 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.98 125.48 47.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.456 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.73 120.46 40.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.73 104.2 7.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.825 0.345 . . . . 10.0 110.447 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.35 124.27 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -117.01 148.15 41.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.863 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.9 t -129.1 19.71 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 10.0 110.11 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 84.53 0.1 Allowed Glycine 0 C--O 1.227 -0.343 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.428 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -68.36 -31.47 70.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -129.09 111.91 13.44 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.083 -0.247 . . . . 10.0 111.12 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 68.1 mttt 64.74 103.62 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.61 -20.43 76.61 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.37 -97.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 2.1 tp -152.14 102.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.514 0.673 . . . . 10.0 111.873 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.648 HG22 HG12 ' K' ' 32' ' ' ILE . 47.7 pt -115.99 140.56 37.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -139.24 132.18 5.56 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.238 -0.982 . . . . 10.0 113.548 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.1 mp -128.76 119.27 24.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.573 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -124.57 118.87 27.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.861 0.362 . . . . 10.0 111.223 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.538 HG23 ' HB ' ' K' ' 36' ' ' VAL . 4.1 p -118.52 118.25 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.126 0.488 . . . . 10.0 110.364 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.73 118.72 4.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.935 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 109.7 1.57 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.322 -0.711 . . . . 10.0 111.322 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.01 113.34 43.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.436 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.224 0.535 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -116.84 123.94 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.177 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' L' ' 40' ' ' VAL . 80.3 t60 -120.25 118.88 31.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -121.06 103.16 8.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.156 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -120.82 120.9 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 10.0 111.023 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . 0.579 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 40.6 mtmt -129.13 128.71 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.384 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.29 113.44 20.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.608 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 t -122.4 115.59 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.19 0.519 . . . . 10.0 110.55 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -117.4 129.99 56.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.62 115.71 30.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.95 109.29 12.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.107 0.479 . . . . 10.0 109.949 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -114.69 118.92 35.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -109.64 153.88 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.688 ' O ' ' HA ' ' L' ' 26' ' ' SER . 3.7 t -131.17 25.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.376 0.608 . . . . 10.0 109.755 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . 0.643 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -67.72 77.39 0.2 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.676 -0.693 . . . . 10.0 113.313 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . 0.67 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 2.3 m -56.35 -28.7 59.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -131.8 116.88 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.0 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.687 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 88.0 mttt 59.29 95.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.126 1.158 . . . . 10.0 114.126 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.88 73.8 Favored Glycine 0 C--N 1.33 0.247 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.1 -119.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 5.6 mt -126.63 111.32 25.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.877 0.37 . . . . 10.0 111.958 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.648 HG12 HG22 ' J' ' 32' ' ' ILE . 11.8 pt -123.32 137.23 57.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -133.73 126.49 4.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.334 -0.936 . . . . 10.0 113.332 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.55 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -122.43 114.93 21.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -118.07 121.4 40.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 10.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.538 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -113.92 125.42 71.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.723 -0.672 . . . . 10.0 109.626 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 106.07 0.89 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 121.021 -0.609 . . . . 10.0 111.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.16 113.4 3.04 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.811 -0.709 . . . . 10.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.77 114.23 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.739 0.305 . . . . 10.0 110.241 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.417 ' O ' HD13 ' C' ' 31' ' ' ILE . 39.1 t . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.348 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.342 -0.244 . . . . 10.0 110.342 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 115.27 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -117.43 121.67 41.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.95 0.405 . . . . 10.0 111.337 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . 0.645 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 5.0 m-70 -121.15 107.86 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.267 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -121.44 125.67 47.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . 0.645 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -129.68 125.5 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.068 0.461 . . . . 10.0 111.751 -179.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.9 mm? -112.61 113.12 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.349 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.8 t -123.07 116.68 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 10.0 110.523 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -123.16 125.93 46.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.851 0.358 . . . . 10.0 111.573 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.33 117.67 34.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.312 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.54 100.52 6.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 10.0 110.197 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -108.2 115.98 31.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.256 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.89 160.43 16.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.801 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 0.8 OUTLIER -138.97 32.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.012 178.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . 0.678 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -74.42 77.43 1.05 Allowed Glycine 0 C--O 1.22 -0.777 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.085 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.2 OUTLIER -52.3 -25.27 9.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -179.116 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -134.78 111.55 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.824 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.0 mttt 65.13 104.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -22.78 78.71 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.635 -0.986 . . . . 10.0 110.635 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.58 -106.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.154 1.168 . . . . 10.0 114.154 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.606 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 26.8 mt -142.56 110.05 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.166 0.508 . . . . 10.0 111.544 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 pt -119.9 142.78 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.112 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.26 121.81 2.39 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.791 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -118.2 118.18 31.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.433 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.6 mpt? -119.89 108.9 14.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.974 0.416 . . . . 10.0 111.192 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.45 109.09 26.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.826 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.587 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.29 114.29 3.24 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.431 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.05 120.11 4.24 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.144 -0.55 . . . . 10.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.15 121.02 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.166 0.508 . . . . 10.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -104.79 100.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.308 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . 0.407 ' CE1' HG21 ' N' ' 40' ' ' VAL . 4.4 t60 -102.24 121.79 42.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.941 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -122.91 108.47 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.086 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.92 120.0 30.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.833 0.349 . . . . 10.0 110.535 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -131.03 126.19 35.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.128 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.484 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -121.88 117.1 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.768 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 11.0 t -124.38 121.17 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.812 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -118.26 134.73 54.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.067 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -114.74 113.26 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.394 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 110.72 15.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.89 0.376 . . . . 10.0 110.176 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.78 123.19 45.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.056 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -112.42 163.86 13.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' N' ' 26' ' ' SER . 3.5 t -139.0 12.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.949 0.404 . . . . 10.0 110.215 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.678 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -61.34 97.81 0.15 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.927 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -66.78 -19.08 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.01 0.405 . . . . 10.0 112.07 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -141.91 119.94 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.716 0.294 . . . . 10.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 23.3 mttt 59.96 95.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.81 -18.58 72.51 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.42 -131.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 42.0 mt -117.55 113.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.153 0.502 . . . . 10.0 112.342 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.579 HG22 ' HB ' ' N' ' 32' ' ' ILE . 28.3 pt -127.3 137.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.09 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.62 134.56 7.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.849 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.16 108.9 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' N' ' 35' ' ' MET . 2.0 mpt? -111.65 117.99 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.053 0.454 . . . . 10.0 111.241 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -113.61 118.48 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.835 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.62 108.12 1.54 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.209 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.15 110.4 2.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.25 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.6 117.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.382 0.134 . . . . 10.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -125.07 117.95 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 10.0 111.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . 0.669 ' HE1' HG21 ' O' ' 40' ' ' VAL . 21.9 t60 -114.3 120.26 39.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.566 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.19 108.65 14.48 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . 0.46 ' HB2' ' NE2' ' N' ' 13' ' ' HIS . 35.3 tt0 -127.43 119.05 25.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.93 0.395 . . . . 10.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -132.65 130.25 39.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.497 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -123.94 117.61 25.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.685 -0.688 . . . . 10.0 109.973 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.65 119.35 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.565 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -120.28 124.22 45.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.25 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -105.48 114.73 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.432 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.83 105.61 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . 0.48 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 42.5 tt0 -122.62 121.81 37.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.617 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -116.62 162.26 17.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' O' ' 24' ' ' VAL . 2.7 t -127.47 4.64 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.69 0.281 . . . . 10.0 110.966 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 105.93 0.48 Allowed Glycine 0 C--O 1.215 -1.045 0 N-CA-C 111.507 -0.637 . . . . 10.0 111.507 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 1.3 m -83.1 11.79 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -165.63 124.31 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 21.9 tptm 60.47 87.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 124.054 0.846 . . . . 10.0 113.09 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -23.45 68.58 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.594 -0.812 . . . . 10.0 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.58 -108.09 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 18.5 mt -135.28 107.06 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.422 . . . . 10.0 111.443 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.579 ' HB ' HG22 ' M' ' 32' ' ' ILE . 56.8 mt -124.5 127.88 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.07 134.61 7.81 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.889 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.504 ' HG ' HD13 ' O' ' 34' ' ' LEU . 5.8 mp -120.14 115.92 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.663 ' HG3' ' HA3' ' F' ' 37' ' ' GLY . 19.5 mmt -113.3 114.5 26.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 10.0 110.39 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 t -114.96 110.91 33.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.069 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.62 ' HA3' ' HG3' ' F' ' 35' ' ' MET . . . -116.02 116.56 3.67 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.667 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.69 114.53 2.36 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.217 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 50.9 t -116.18 118.28 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 2.9 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.194 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' P' ' 12' ' ' VAL . 16.9 t -131.05 109.37 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.921 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -113.91 123.12 48.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.57 100.89 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.257 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -116.02 118.34 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 10.0 110.783 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -127.62 126.54 42.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.44 121.38 38.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.974 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.4 t -128.97 129.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.549 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.67 130.88 49.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -113.58 104.83 12.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.222 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.17 105.99 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' N' ' 22' ' ' GLU . 57.2 tt0 -130.03 120.59 24.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.09 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -127.12 129.34 47.75 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.452 ' HA ' ' CG2' ' N' ' 24' ' ' VAL . 3.6 t -86.94 63.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.36 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -67.22 167.04 40.39 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.6 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -134.16 -44.8 0.78 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.146 0.498 . . . . 10.0 109.774 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' P' ' 27' ' ' ASN . 7.3 t30 -144.99 122.95 12.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.06 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.697 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 35.8 ttmt 66.09 104.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.54 -13.91 83.02 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.798 -0.921 . . . . 10.0 110.798 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.51 -118.13 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 18.7 mt -131.85 113.25 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.232 0.539 . . . . 10.0 111.654 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mt -122.94 130.33 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.048 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.51 112.34 1.25 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.504 HD13 ' HG ' ' N' ' 34' ' ' LEU . 5.8 mp -96.1 123.63 39.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -120.68 112.08 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.703 0.287 . . . . 10.0 110.834 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.84 111.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.47 107.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 125.19 6.33 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.458 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 22.5 t -126.83 121.6 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.669 HG21 ' HE1' ' N' ' 13' ' ' HIS . 3.2 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' O' ' 12' ' ' VAL . 9.5 p -128.15 125.15 63.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -119.45 124.73 47.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.13 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -120.05 112.83 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.085 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -122.25 124.19 43.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.92 111.16 13.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.18 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.72 114.98 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.119 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.7 p -137.63 132.07 44.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 10.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.19 137.32 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -114.83 120.61 40.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.466 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 112.97 10.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.023 0.439 . . . . 10.0 111.031 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -128.63 144.19 51.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -141.7 -176.06 4.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.928 0.394 . . . . 10.0 110.312 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.19 54.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.95 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . 0.534 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -75.98 83.9 0.93 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.374 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.85 -49.51 73.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.599 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' O' ' 27' ' ' ASN . 7.4 t30 -131.66 115.15 15.67 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.243 -0.286 . . . . 10.0 111.579 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . 0.431 ' HG2' ' H ' ' P' ' 30' ' ' ALA . 24.7 ttmt 67.43 98.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.074 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.78 11.59 33.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.135 -0.555 . . . . 10.0 112.135 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.431 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 61.48 -158.78 0.33 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.227 0.611 . . . . 10.0 111.786 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 3.0 mp -102.65 108.56 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tt -122.82 131.33 73.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.448 . . . . 10.0 111.071 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 135.93 9.15 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.946 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.01 106.02 13.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.431 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.4 mpt? -100.31 114.53 28.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.922 0.391 . . . . 10.0 111.584 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -116.77 126.95 74.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.426 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . 0.603 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -134.69 135.37 7.91 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.373 -0.918 . . . . 10.0 112.515 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.17 112.77 0.73 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.075 -0.583 . . . . 10.0 111.766 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 42.6 t -119.59 122.46 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.688 0.28 . . . . 10.0 110.326 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.964 -0.541 . . . . 10.0 111.126 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 18.2 t . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.588 ' HE1' HG11 ' B' ' 40' ' ' VAL . 44.1 t60 -102.51 109.95 21.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.1 0.476 . . . . 10.0 111.849 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.4 ' HD2' HG12 ' A' ' 12' ' ' VAL . 46.4 m-70 -120.7 106.36 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.336 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.02 130.68 55.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.835 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HG2' ' B' ' 16' ' ' LYS . 56.6 mttm -131.32 123.28 27.96 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.102 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -130.86 120.48 23.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' CG1' HG12 ' B' ' 18' ' ' VAL . 14.3 p -146.81 128.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.597 0.713 . . . . 10.0 111.909 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -111.83 127.69 55.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.767 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.49 90.99 3.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.38 94.74 5.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.298 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -99.23 118.75 36.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.128 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -112.56 155.69 23.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.016 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 23' ' ' ASP . 3.8 t -122.16 39.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.716 -0.846 . . . . 10.0 108.716 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -72.86 85.45 0.56 Allowed Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.597 -0.729 . . . . 10.0 112.47 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -34.76 72.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.722 0.296 . . . . 10.0 111.54 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.38 112.88 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.8 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 65.3 mttp 61.75 103.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.01 74.58 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.259 -1.137 . . . . 10.0 110.259 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.73 -129.56 0.08 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HB ' HG12 ' B' ' 31' ' ' ILE . 23.7 mt -109.09 133.28 54.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.165 0.507 . . . . 10.0 111.862 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tt -141.04 139.67 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.805 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -133.68 107.81 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.492 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.5 102.87 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.493 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.1 mpt? -110.49 95.45 5.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.615 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.71 95.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.35 112.41 4.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.743 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.91 109.87 2.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 ' HA3' ' I' ' 33' ' ' GLY . 13.5 t -116.21 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.904 0.383 . . . . 10.0 110.034 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.647 179.482 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.674 0.273 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.61 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 9.3 t -104.82 109.55 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.427 ' CE1' HG11 ' C' ' 40' ' ' VAL . 46.7 t60 -114.04 116.46 29.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.654 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -123.98 115.11 20.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.129 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -129.34 120.32 25.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.194 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 61.5 mtpt -124.71 123.54 40.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.338 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.468 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -118.48 111.13 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.541 HG23 HG13 ' C' ' 18' ' ' VAL . 2.3 m -121.53 115.82 47.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 10.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.3 128.12 55.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.814 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -108.28 123.82 49.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.816 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.79 106.92 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.851 0.358 . . . . 10.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -103.27 124.97 49.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -116.0 154.76 29.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.779 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.734 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.8 t -135.11 20.42 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.446 0.641 . . . . 10.0 109.301 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.624 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -67.89 83.39 0.16 Allowed Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.61 -0.723 . . . . 10.0 113.254 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -69.11 -23.04 63.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.528 0.204 . . . . 10.0 111.266 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -133.75 107.25 7.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.659 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 96.7 mttt 63.95 108.38 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.07 -13.86 82.9 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.641 -0.984 . . . . 10.0 110.641 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.68 -105.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.091 0.774 . . . . 10.0 113.091 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 84.1 mt -143.54 101.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 10.0 110.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.734 HG22 HG12 ' C' ' 32' ' ' ILE . 49.5 pt -115.05 137.86 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.694 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.32 134.89 7.28 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.349 -0.929 . . . . 10.0 113.471 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.551 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.6 mp -132.44 114.36 14.23 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.493 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -113.39 126.29 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.352 0.596 . . . . 10.0 111.693 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.26 126.62 74.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.653 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.11 99.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.971 -0.633 . . . . 10.0 111.75 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.92 108.93 2.48 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.842 -0.694 . . . . 10.0 111.73 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.41 HG21 ' HA3' ' J' ' 33' ' ' GLY . 21.1 t -116.37 117.82 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.878 0.37 . . . . 10.0 110.524 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.588 HG11 ' HE1' ' A' ' 13' ' ' HIS . 58.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.705 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.17 114.82 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.54 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -118.85 118.7 32.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.466 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -123.3 110.62 15.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.244 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -119.0 119.38 34.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.06 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -124.34 122.73 38.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.001 0.429 . . . . 10.0 111.701 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.25 117.89 31.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.541 HG13 HG23 ' B' ' 18' ' ' VAL . 2.6 t -125.69 116.59 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.41 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -121.88 129.44 52.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.67 0.272 . . . . 10.0 111.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -112.55 121.12 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.442 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.1 108.02 10.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 10.0 110.061 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -112.31 120.22 40.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.019 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.9 OUTLIER -115.72 158.09 23.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' D' ' 26' ' ' SER . 2.6 t -134.62 25.18 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.069 0.462 . . . . 10.0 109.939 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -70.86 83.45 0.39 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 116.131 -0.486 . . . . 10.0 113.479 -178.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.734 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 2.3 m -63.67 -16.09 60.08 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -137.84 112.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.684 -0.235 . . . . 10.0 111.397 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.715 ' O ' ' HA ' ' D' ' 28' ' ' LYS . 99.0 mttt 59.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.42 -19.34 70.6 Favored Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.62 -128.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 123.433 0.693 . . . . 10.0 112.489 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 3.1 mt -124.51 107.42 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.171 0.51 . . . . 10.0 111.704 -178.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.734 HG12 HG22 ' B' ' 32' ' ' ILE . 19.3 pt -118.45 137.79 51.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.076 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.3 126.88 4.71 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.346 -0.93 . . . . 10.0 113.199 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.551 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -121.74 116.35 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.724 ' HG3' ' HA3' ' K' ' 37' ' ' GLY . 14.6 mmt -114.27 121.65 44.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.945 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.2 111.07 33.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.454 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.47 114.83 3.25 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.202 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 111.56 1.71 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.25 119.55 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 10.0 110.545 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' B' ' 40' ' ' VAL . 64.4 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' E' ' 11' ' ' GLU . 26.8 mt-10 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.673 0.273 . . . . 10.0 110.764 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.07 107.07 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -110.69 119.78 40.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.8 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.59 111.48 17.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.212 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -122.55 121.43 36.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.497 ' HB2' ' HG3' ' E' ' 16' ' ' LYS . 43.5 mttp -129.38 124.38 34.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.155 0.502 . . . . 10.0 111.456 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -113.33 117.78 32.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.841 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 3.7 t -123.57 117.83 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.795 0.331 . . . . 10.0 110.51 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -123.82 126.46 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 10.0 111.555 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -108.07 117.82 35.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.414 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.78 110.57 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -119.36 120.46 36.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.445 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -116.37 159.37 22.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.45 10.03 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.184 0.516 . . . . 10.0 111.157 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.413 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -63.05 101.07 0.39 Allowed Glycine 0 C--O 1.219 -0.784 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.661 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.715 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 1.5 m -74.91 -5.79 45.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -143.47 112.27 6.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.924 -0.31 . . . . 10.0 111.75 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.715 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 97.7 mttt 62.02 101.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.16 76.63 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.495 -1.042 . . . . 10.0 110.495 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.87 -112.14 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.753 0.821 . . . . 10.0 113.193 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.599 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 52.9 mt -137.88 107.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 10.0 111.806 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.441 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.2 pt -115.2 143.13 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.946 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.23 110.51 0.78 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.364 -0.922 . . . . 10.0 113.261 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.08 117.43 34.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.592 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.8 mmt -116.24 111.16 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.052 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 t -107.84 119.46 57.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.686 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.22 106.13 0.84 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.883 -0.675 . . . . 10.0 112.263 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.42 115.71 3.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.945 -0.645 . . . . 10.0 111.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.56 120.3 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 10.0 110.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.205 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.537 ' HB2' ' HG2' ' D' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.871 0.367 . . . . 10.0 110.243 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.74 110.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.181 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -113.33 120.44 41.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.969 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -120.65 107.43 12.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.797 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.03 124.81 49.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.0 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.497 ' HG3' ' HB2' ' D' ' 16' ' ' LYS . 67.8 tttt -138.06 126.51 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.853 0.358 . . . . 10.0 110.859 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' F' ' 17' ' ' LEU . 5.7 mp -123.67 122.47 38.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.05 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 9.1 t -126.62 122.08 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.372 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.456 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -118.5 133.53 55.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.52 110.8 20.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.25 99.03 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -110.66 118.87 37.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.595 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -116.43 162.04 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.721 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.49 39.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' F' ' 26' ' ' SER . . . -61.12 179.75 3.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.649 -0.705 . . . . 10.0 114.12 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -152.58 -38.27 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.545 -0.327 . . . . 10.0 110.248 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -138.2 116.84 12.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 10.0 111.768 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 77.3 mttt 61.07 99.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.55 74.26 Favored Glycine 0 C--N 1.33 0.202 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' F' ' 28' ' ' LYS . . . 77.38 -121.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.48 HD13 ' HB ' ' D' ' 31' ' ' ILE . 6.8 mm -122.94 111.83 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.732 0.301 . . . . 10.0 111.702 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.31 130.77 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.827 0.346 . . . . 10.0 110.343 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.0 128.28 5.98 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.57 -0.824 . . . . 10.0 112.98 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.8 115.43 23.84 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.46 112.13 21.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.045 0.45 . . . . 10.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.3 110.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.947 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.17 110.34 2.16 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.058 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 114.24 2.56 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.727 -0.749 . . . . 10.0 111.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.7 t -116.02 114.34 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.66 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' G' ' 12' ' ' VAL . 4.3 p -134.13 109.52 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.418 0.627 . . . . 10.0 110.734 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.438 ' HE2' ' HB2' ' F' ' 15' ' ' GLN . 64.5 t60 -117.8 125.99 51.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.221 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.28 107.05 11.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.876 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.438 ' HB2' ' HE2' ' F' ' 13' ' ' HIS . 45.8 tt0 -114.3 121.02 42.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.546 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' HG2' ' G' ' 16' ' ' LYS . 91.8 mttt -127.03 121.83 32.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' E' ' 17' ' ' LEU . 5.1 mp -121.68 118.56 29.44 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.545 HG13 HG13 ' G' ' 18' ' ' VAL . 6.6 p -132.17 123.51 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.305 0.574 . . . . 10.0 111.382 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 7.5 m-85 -119.54 130.02 54.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -107.61 117.01 32.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.268 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 103.98 8.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.77 -0.455 . . . . 10.0 109.77 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -120.05 122.47 41.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.349 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -121.32 167.18 13.04 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' G' ' 24' ' ' VAL . 2.3 t -129.99 15.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 10.0 110.223 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -59.87 120.42 22.68 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 121.201 -0.524 . . . . 10.0 111.872 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.446 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.1 m -97.75 -9.82 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.81 127.08 12.15 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.973 -0.455 . . . . 10.0 111.999 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 17.2 tptm 57.72 89.74 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 124.155 0.909 . . . . 10.0 112.963 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.18 -20.45 67.2 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.532 -0.842 . . . . 10.0 111.518 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.739 0.815 . . . . 10.0 113.038 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 21.2 mt -135.21 110.61 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 10.0 111.44 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -124.6 130.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.217 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 129.3 6.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.741 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.56 106.99 12.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.425 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -109.91 117.83 34.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.093 0.473 . . . . 10.0 111.606 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -115.33 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.764 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 111.34 1.95 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.003 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.19 114.31 2.56 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.674 -0.774 . . . . 10.0 111.991 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.58 127.55 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 6.5 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 111.278 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.451 ' HA ' HG13 ' F' ' 12' ' ' VAL . 3.4 t -107.91 110.18 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.58 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -121.87 114.78 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.774 0.321 . . . . 10.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.402 ' HD2' HG12 ' G' ' 12' ' ' VAL . 35.2 m-70 -118.78 113.53 21.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.114 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -124.45 120.41 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.553 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 49.5 mtmt -129.18 125.52 37.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 10.0 111.591 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.43 121.11 40.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.8 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.545 HG13 HG13 ' F' ' 18' ' ' VAL . 5.2 t -126.58 117.98 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.569 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.28 125.47 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.726 0.298 . . . . 10.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.88 115.33 29.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.676 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.74 113.37 18.5 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.52 116.19 15.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 10.0 111.645 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -125.11 137.77 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' F' ' 24' ' ' VAL . 2.6 t -93.25 61.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.014 0.435 . . . . 10.0 110.309 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -63.79 172.09 15.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.028 -0.606 . . . . 10.0 113.114 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -149.12 -51.29 0.15 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.291 0.567 . . . . 10.0 109.777 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -139.39 120.61 14.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.631 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 29.0 ttmt 66.47 99.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.994 0.809 . . . . 10.0 112.743 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.79 -14.77 79.76 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.16 -132.58 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.671 0.788 . . . . 10.0 112.655 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' H' ' 31' ' ' ILE . 41.4 mt -122.67 107.28 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.447 . . . . 10.0 111.473 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 54.2 mt -120.54 126.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.237 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.34 122.8 4.91 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.341 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -107.93 121.0 43.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.568 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 20.0 mmt -118.45 109.05 15.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.91 0.386 . . . . 10.0 111.047 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.456 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.6 t -107.48 110.58 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.139 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.444 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -116.44 111.0 2.25 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.3 118.26 3.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.087 -0.577 . . . . 10.0 111.721 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -122.72 118.95 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.715 0.293 . . . . 10.0 110.43 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 42.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.457 0.17 . . . . 10.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.42 96.38 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -102.15 130.28 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.827 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -129.7 99.76 5.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.794 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -119.56 123.61 44.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 4.5 ptmt -138.0 131.17 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.021 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -121.42 118.74 30.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.369 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 84.5 t -124.97 123.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 10.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -123.54 137.02 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -112.85 107.66 16.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.22 114.3 27.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -131.21 133.36 45.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.577 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -151.22 174.65 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' G' ' 24' ' ' VAL . 11.0 t -138.09 72.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.453 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -91.04 81.43 1.3 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.953 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -56.58 -48.96 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 10.0 110.994 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -126.07 107.41 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' G' ' 28' ' ' LYS . 32.1 ttpt 66.55 97.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.301 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 2.98 42.9 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.888 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.57 -164.97 0.19 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.121 0.568 . . . . 10.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 63.7 mt -95.39 113.58 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.064 0.459 . . . . 10.0 110.668 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 mt -118.15 132.94 66.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.762 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.444 ' HA3' HG21 ' P' ' 39' ' ' VAL . . . -132.15 111.65 1.07 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.564 -0.827 . . . . 10.0 112.493 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 73.7 mt -105.92 107.04 17.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.913 0.387 . . . . 10.0 110.056 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.568 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.1 mpt? -110.83 119.42 39.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.956 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.446 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 7.4 p -120.25 128.06 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.075 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.434 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -127.85 122.8 4.25 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.369 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.87 117.67 2.53 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.255 -0.738 . . . . 10.0 111.255 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.92 116.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.709 -0.662 . . . . 10.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.656 0.265 . . . . 10.0 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.474 HG12 ' HD2' ' I' ' 14' ' ' HIS . 23.1 t -104.6 112.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.482 ' HE1' HG11 ' J' ' 40' ' ' VAL . 49.7 t60 -114.71 116.02 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 10.0 111.287 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.474 ' HD2' HG12 ' I' ' 12' ' ' VAL . 60.0 m-70 -127.51 106.83 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -133.92 130.45 37.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.263 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -144.01 130.41 19.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.488 . . . . 10.0 111.783 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.429 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.3 mp -120.39 121.36 38.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.391 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -128.19 126.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.911 0.386 . . . . 10.0 111.104 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -115.09 124.42 51.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.645 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -103.63 95.44 6.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.71 0.29 . . . . 10.0 110.869 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.05 95.31 7.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.296 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.76 96.16 9.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.766 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.8 146.63 26.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.752 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.492 HG23 ' O ' ' J' ' 23' ' ' ASP . 3.4 t -127.11 36.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 10.0 109.535 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.64 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -74.04 91.66 0.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.972 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -147.56 130.29 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.385 0.612 . . . . 10.0 112.649 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 97.8 mttt 65.86 93.0 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.577 -1.192 . . . . 10.0 113.721 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.14 -27.83 63.39 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.102 -0.799 . . . . 10.0 111.102 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.78 -133.5 0.07 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.3 mm -98.74 140.8 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 10.0 111.68 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -151.91 139.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.977 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.46 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -135.26 113.87 1.17 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.822 -0.704 . . . . 10.0 112.224 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -117.82 99.54 6.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.585 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.0 mpt? -106.79 104.3 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.088 0.471 . . . . 10.0 111.819 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.418 ' HA ' HG13 ' J' ' 36' ' ' VAL . 32.6 t -103.87 99.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.509 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 113.88 4.81 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.679 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.73 95.8 0.69 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.723 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.58 HG21 ' HA3' ' A' ' 33' ' ' GLY . 21.3 t -105.0 96.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.499 . . . . 10.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.618 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' K' ' 11' ' ' GLU . 11.9 tt0 . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.61 109.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.162 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -110.1 118.69 37.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -124.64 111.48 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -124.86 122.26 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 10.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.522 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 91.7 mttt -121.73 125.25 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.7 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.429 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.5 mp -122.68 114.21 20.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.414 HG23 HG13 ' K' ' 18' ' ' VAL . 0.0 OUTLIER -127.58 116.55 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 10.0 111.304 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -117.22 123.03 45.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.725 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.36 123.25 47.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.786 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.25 107.86 9.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.968 0.414 . . . . 10.0 110.69 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -104.17 126.3 51.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.413 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -119.74 150.55 40.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.689 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.4 t -132.37 25.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.64 ' O ' ' HA2' ' I' ' 25' ' ' GLY . . . -69.82 83.21 0.3 Allowed Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 113.049 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -37.48 80.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.319 . . . . 10.0 111.634 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -125.45 114.04 18.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.976 0.361 . . . . 10.0 111.976 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 84.2 mttt 63.72 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.2 -16.6 79.44 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.52 -95.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.79 0.836 . . . . 10.0 112.809 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.1 tt -160.44 102.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.905 0.859 . . . . 10.0 112.295 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.623 HG22 HG12 ' K' ' 32' ' ' ILE . 41.0 pt -113.18 141.41 28.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.764 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -136.11 130.15 5.19 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 10.0 113.092 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.2 mp -128.01 116.45 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.585 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -121.86 120.22 33.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.011 0.434 . . . . 10.0 111.447 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.6 p -121.04 124.48 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.011 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.33 109.21 1.46 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.108 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.62 110.15 2.88 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.256 -0.738 . . . . 10.0 111.256 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -114.17 112.87 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.962 0.41 . . . . 10.0 110.024 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' K' ' 40' ' ' VAL . 58.3 t . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.447 ' HB3' ' HG3' ' J' ' 11' ' ' GLU . 46.5 tt0 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.15 109.54 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -113.53 118.58 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.767 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.55 110.84 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.318 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -122.88 126.17 46.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.68 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . 0.522 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 53.7 mtmt -128.72 127.74 42.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 10.0 111.695 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.84 110.6 16.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.493 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.414 HG13 HG23 ' J' ' 18' ' ' VAL . 2.6 t -121.05 117.61 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.661 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.53 129.36 52.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -111.86 114.73 27.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.373 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.73 113.05 17.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.743 0.306 . . . . 10.0 110.205 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -117.55 126.86 53.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.261 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.9 OUTLIER -120.02 156.36 31.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 179.32 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' L' ' 26' ' ' SER . 2.5 t -133.36 24.97 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . 0.563 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -70.87 85.88 0.37 Allowed Glycine 0 C--O 1.219 -0.786 0 CA-C-N 116.026 -0.533 . . . . 10.0 113.407 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . 0.758 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 4.4 m -63.77 -15.02 57.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -138.97 112.99 8.58 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.699 -0.4 . . . . 10.0 111.47 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 90.1 mttt 57.82 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.16 64.4 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.16 -127.74 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 11.7 mt -122.35 104.59 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.393 . . . . 10.0 111.825 -177.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.623 HG12 HG22 ' J' ' 32' ' ' ILE . 14.1 pt -117.36 137.43 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -132.44 127.94 5.03 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.302 -0.951 . . . . 10.0 113.28 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.548 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 5.8 mp -123.57 118.14 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.58 123.52 45.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' J' ' 36' ' ' VAL . 3.8 t -118.34 115.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.786 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' C' ' 35' ' ' MET . . . -116.24 110.63 2.21 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.04 111.35 2.27 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.724 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.67 117.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.831 0.348 . . . . 10.0 110.536 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' J' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.126 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.038 0.447 . . . . 10.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.84 111.57 34.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.777 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -114.98 118.85 34.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 10.0 111.119 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -121.3 104.01 9.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.427 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.4 126.61 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.567 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' M' ' 16' ' ' LYS . 5.9 mttt -131.98 126.84 34.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 10.0 111.644 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -115.61 114.05 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.229 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.4 t -120.73 117.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 10.0 110.298 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.41 128.5 49.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.852 0.358 . . . . 10.0 111.571 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -110.29 123.62 50.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.039 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.07 108.12 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.873 0.368 . . . . 10.0 110.144 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -114.07 119.92 38.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.467 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -113.55 154.75 26.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.701 -1.222 . . . . 10.0 107.701 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.85 11.08 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.126 0.488 . . . . 10.0 111.506 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -63.96 104.34 0.86 Allowed Glycine 0 C--O 1.216 -1.004 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.214 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 2.4 m -80.08 -0.15 34.48 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -148.27 111.89 5.04 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.2 -0.313 . . . . 10.0 111.515 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.679 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.1 mttt 61.41 97.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 114.111 1.152 . . . . 10.0 114.111 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.22 73.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.87 -114.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 33.7 mt -135.57 112.97 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.522 . . . . 10.0 111.976 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 pt -121.59 142.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.43 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.55 119.22 2.14 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.799 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' HB2' ' M' ' 34' ' ' LEU . 7.9 mp -117.75 112.77 20.88 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.28 112.55 22.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.154 0.502 . . . . 10.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.26 116.19 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.351 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.592 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -120.11 107.38 1.31 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.768 -0.729 . . . . 10.0 112.332 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.08 119.31 4.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -120.34 124.92 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 11.1 p . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.286 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 10.0 111.38 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.45 104.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . 0.428 ' HE1' HG21 ' N' ' 40' ' ' VAL . 21.6 t60 -110.81 123.74 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 111.543 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -124.61 110.34 14.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.076 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -122.36 117.51 26.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . 0.482 ' HG2' ' HB2' ' L' ' 16' ' ' LYS . 48.3 mtpt -128.18 122.11 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 10.0 111.086 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.0 117.25 27.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 8.6 t -124.71 122.93 64.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.981 0.419 . . . . 10.0 111.183 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.448 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 8.1 m-85 -116.86 131.79 56.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.226 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.18 104.89 12.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.169 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.9 105.67 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.99 121.92 42.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.154 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -118.64 159.65 23.23 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.2 37.08 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.09 0.471 . . . . 10.0 109.85 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -58.9 174.23 3.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.606 -0.724 . . . . 10.0 113.94 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -145.16 -40.71 0.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.791 0.329 . . . . 10.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.11 122.71 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.1 tppp? 61.41 96.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -21.29 73.46 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 78.29 -120.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.4 mt -131.77 113.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 10.0 111.733 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.404 HG22 HG13 ' N' ' 32' ' ' ILE . 20.0 pt -123.01 141.62 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.085 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.9 127.47 4.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.454 -0.879 . . . . 10.0 113.095 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.406 ' HB2' ' HG ' ' L' ' 34' ' ' LEU . 6.4 mp -122.34 113.18 19.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.84 113.23 23.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.069 0.461 . . . . 10.0 111.334 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.46 112.66 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.09 109.54 2.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.774 -0.726 . . . . 10.0 112.194 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.98 114.35 2.79 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 23.1 t -116.77 117.62 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' O' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.988 0.423 . . . . 10.0 112.06 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.34 118.74 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.699 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -120.05 123.58 43.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.654 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.56 105.81 10.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.64 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -114.74 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.336 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.26 122.12 28.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.309 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.57 119.65 34.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.921 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.78 121.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.545 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.65 126.22 48.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.87 122.59 46.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.581 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.97 102.93 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -118.43 120.92 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.994 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -119.83 166.71 12.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.504 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 t -128.91 10.07 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.295 0.569 . . . . 10.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 124.87 37.08 Favored Glycine 0 C--O 1.22 -0.781 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.937 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . 0.565 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 0.8 OUTLIER -103.97 -12.79 16.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.148 0.499 . . . . 10.0 111.995 -178.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -143.05 125.03 15.2 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.727 -0.608 . . . . 10.0 111.527 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 0.1 OUTLIER 57.85 93.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.957 0.786 . . . . 10.0 112.872 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.61 66.73 Favored Glycine 0 C--N 1.331 0.251 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.75 -117.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.826 0.85 . . . . 10.0 113.119 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 33.9 mt -136.35 109.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.989 0.423 . . . . 10.0 111.36 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.775 HG22 ' HB ' ' O' ' 32' ' ' ILE . 1.2 pt -126.8 131.34 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.87 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.97 131.63 7.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.019 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.59 105.82 12.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -108.76 117.52 34.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.063 0.459 . . . . 10.0 111.412 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.41 118.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.662 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.425 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -121.92 111.06 1.74 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.55 114.97 2.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.98 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 t -118.06 121.63 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' N' ' 11' ' ' GLU . 17.2 tt0 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.868 0.366 . . . . 10.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.37 116.73 47.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.705 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . 0.571 ' HE1' HG21 ' P' ' 40' ' ' VAL . 24.6 t60 -119.49 118.79 32.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.492 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . 0.691 ' HB2' ' HD2' ' P' ' 14' ' ' HIS . 90.7 m-70 -120.54 113.61 20.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.484 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . 0.422 ' HG3' ' HB3' ' P' ' 15' ' ' GLN . 14.2 tt0 -121.19 119.19 31.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.14 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.01 118.56 24.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 111.723 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -116.28 119.61 36.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.886 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.1 t -127.86 125.27 64.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.848 0.356 . . . . 10.0 110.861 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -123.37 128.72 50.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.7 110.03 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.57 111.79 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 10.0 110.068 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' P' ' 22' ' ' GLU . 27.2 tt0 -130.89 127.06 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.842 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.2 137.42 40.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.846 0.355 . . . . 10.0 110.076 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -90.34 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.151 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -66.17 171.6 27.68 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.982 -0.627 . . . . 10.0 112.566 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -152.51 -48.2 0.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.098 0.475 . . . . 10.0 110.136 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.63 118.37 11.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.242 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.6 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 96.1 mttt 67.18 100.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.388 0.884 . . . . 10.0 113.388 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.54 -9.05 81.85 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.86 -141.79 0.06 Allowed 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 123.551 0.74 . . . . 10.0 112.393 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' P' ' 31' ' ' ILE . 29.6 mt -116.61 108.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.024 0.44 . . . . 10.0 111.358 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.775 ' HB ' HG22 ' N' ' 32' ' ' ILE . 63.6 mt -122.1 129.41 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.871 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.62 121.04 4.22 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.716 -0.754 . . . . 10.0 112.607 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.45 119.13 38.26 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 19.7 mmt -117.38 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.726 0.298 . . . . 10.0 110.774 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.448 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 6.7 t -107.69 107.4 22.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . 0.532 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -114.21 111.81 2.68 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.29 118.83 3.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.197 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.53 123.67 67.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.2 p . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.049 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.9 119.64 41.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.696 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -115.16 127.88 55.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.643 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . 0.691 ' HD2' ' HB2' ' O' ' 14' ' ' HIS . 24.4 m170 -121.68 104.21 9.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.764 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . 0.422 ' HB3' ' HG3' ' O' ' 15' ' ' GLN . 48.2 tt0 -111.51 114.88 28.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.104 0.478 . . . . 10.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -116.48 130.91 57.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.984 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' P' ' 17' ' ' LEU . 7.5 tp -138.89 108.94 6.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.263 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 12.3 p -127.02 134.29 66.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.774 0.321 . . . . 10.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -130.05 144.69 51.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -120.96 111.74 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.99 118.17 27.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.469 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' O' ' 22' ' ' GLU . 0.1 OUTLIER -141.89 142.39 33.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.208 179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -149.88 176.44 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 t -129.05 70.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . 0.435 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -91.39 75.5 1.52 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.166 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -57.3 -47.42 81.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -123.14 108.61 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.317 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt 67.3 96.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.741 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.36 -1.27 50.51 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.436 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.33 -174.28 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.611 0.764 . . . . 10.0 112.4 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 63.1 mt -87.61 113.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.205 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -120.41 131.85 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.29 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.26 121.46 3.53 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -117.49 104.56 11.2 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.443 ' HG3' ' HB2' ' O' ' 35' ' ' MET . 1.9 mpt? -104.79 119.09 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.153 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -109.11 125.36 66.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.624 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.41 112.24 1.75 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.681 -0.771 . . . . 10.0 111.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.15 115.3 2.15 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.256 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.444 HG21 ' HA3' ' H' ' 33' ' ' GLY . 26.6 t -126.86 133.96 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.571 HG21 ' HE1' ' O' ' 13' ' ' HIS . 14.9 p . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.107 -0.949 . . . . 10.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.418 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 23.1 t . . . . . 0 C--O 1.231 0.091 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -121.34 105.8 10.87 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -114.87 96.08 5.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.091 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -118.95 116.02 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -131.52 127.77 37.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.948 0.404 . . . . 10.0 111.667 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.64 118.91 29.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.672 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -128.25 120.04 52.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.351 . . . . 10.0 110.947 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -114.56 124.3 51.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.55 99.86 11.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.889 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.7 97.76 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.97 0.415 . . . . 10.0 110.955 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.774 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 8.2 tp10 -81.21 147.53 29.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.501 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.1 OUTLIER -143.19 128.36 18.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.31 . . . . 10.0 111.553 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 23' ' ' ASP . 4.1 t -127.24 25.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.614 0.721 . . . . 10.0 109.361 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -71.35 104.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.546 -0.752 . . . . 10.0 112.741 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.91 -30.79 45.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -141.77 119.62 11.9 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 63.1 mttp 61.23 101.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 114.841 1.422 . . . . 10.0 114.841 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -25.68 66.23 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.353 -1.099 . . . . 10.0 110.353 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.01 -130.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.01 129.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.228 0.537 . . . . 10.0 112.19 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -136.68 134.18 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.011 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.559 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -128.78 105.73 0.72 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.945 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.99 97.94 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.532 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.5 mpt? -105.79 113.55 27.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.055 0.455 . . . . 10.0 112.052 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 132.87 59.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.919 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.62 0.25 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.047 -0.597 . . . . 10.0 111.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.46 85.92 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.579 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 ' HA3' ' I' ' 33' ' ' GLY . 7.2 t -90.28 101.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.907 -179.712 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.64 0.257 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.418 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 33.8 t -111.56 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.085 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -115.19 116.24 28.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.819 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -122.14 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.874 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -127.77 116.85 20.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.035 0.445 . . . . 10.0 110.413 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -124.86 118.61 26.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.878 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.85 118.78 37.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.593 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.6 t -127.26 118.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.58 132.55 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.995 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -111.25 114.25 27.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.88 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.6 104.06 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.141 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.774 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 4.2 tt0 -99.75 117.66 34.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.53 144.24 38.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.433 0.458 . . . . 10.0 110.522 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.666 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.1 t -131.16 24.42 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.501 0.667 . . . . 10.0 109.362 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.691 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -69.52 77.04 0.37 Allowed Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.631 -0.713 . . . . 10.0 113.271 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -59.92 -38.86 83.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.04 103.48 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.923 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 95.2 mttt 63.91 105.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.819 1.414 . . . . 10.0 114.819 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -19.6 79.76 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 110.711 -0.956 . . . . 10.0 110.711 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -102.09 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.683 0.793 . . . . 10.0 112.826 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 81.4 mt -139.98 104.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.105 0.478 . . . . 10.0 111.236 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.73 HG22 HG12 ' C' ' 32' ' ' ILE . 44.8 pt -116.79 131.34 69.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.222 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.73 134.42 7.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.218 -0.991 . . . . 10.0 113.498 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.8 mp -131.19 122.54 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.5 mpt? -120.75 118.55 30.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.226 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.57 103.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.068 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.89 114.23 4.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 114.04 1.96 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.832 -0.699 . . . . 10.0 111.803 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 t -113.68 107.79 23.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.732 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' D' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.45 110.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.635 -0.257 . . . . 10.0 110.757 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -113.94 120.71 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.629 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.81 105.44 8.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.595 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.429 ' HG3' ' HB3' ' D' ' 15' ' ' GLN . 19.3 tt0 -118.34 125.55 50.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.958 0.408 . . . . 10.0 110.775 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.54 ' HB2' ' HG3' ' D' ' 16' ' ' LYS . 45.7 mtpt -127.47 123.57 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.941 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.31 110.97 17.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.806 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 5.8 t -123.52 118.15 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.493 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -121.16 128.06 52.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.232 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -107.59 122.05 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.321 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 104.97 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.42 118.45 36.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -109.28 155.09 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.338 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.3 t -134.7 26.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 10.0 109.789 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.691 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.06 75.11 0.34 Allowed Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.691 -0.686 . . . . 10.0 113.99 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 13.9 m -58.1 -23.53 55.15 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -129.69 99.69 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.661 -0.245 . . . . 10.0 111.22 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.0 mttt 65.64 107.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 114.887 1.439 . . . . 10.0 114.887 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.31 -21.08 79.4 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 110.13 -1.188 . . . . 10.0 110.13 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.26 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 25.6 mt -133.91 105.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.057 0.456 . . . . 10.0 111.414 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.73 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -117.21 139.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.368 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.55 3.06 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.433 -0.889 . . . . 10.0 112.84 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.451 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.2 mp -118.46 110.58 17.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.87 120.6 42.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.306 0.574 . . . . 10.0 111.701 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -112.19 124.44 68.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.266 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.71 105.96 0.77 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.004 -0.617 . . . . 10.0 112.114 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.11 115.19 3.18 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.783 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.69 117.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.591 179.784 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . 0.635 ' HB3' ' HG3' ' C' ' 11' ' ' GLU . 7.8 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.934 0.397 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' D' ' 14' ' ' HIS . 4.6 t -114.42 114.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.311 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . 0.427 ' CE1' HG21 ' E' ' 40' ' ' VAL . 76.4 t60 -114.65 119.5 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.226 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . 0.44 ' HD2' HG12 ' D' ' 12' ' ' VAL . 14.4 m-70 -121.05 110.96 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.384 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.429 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 19.7 tt0 -122.6 120.22 33.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.242 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' C' ' 16' ' ' LYS . 1.5 mptt -126.17 122.6 36.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 10.0 111.627 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.38 114.92 25.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.47 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 2.8 t -127.56 119.72 52.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.898 0.38 . . . . 10.0 110.782 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.89 133.04 54.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -115.66 112.83 22.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.64 108.13 13.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.821 0.343 . . . . 10.0 110.189 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.51 124.28 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.126 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.4 OUTLIER -116.36 162.32 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.696 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.0 t -140.73 29.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.659 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -73.1 77.92 0.82 Allowed Glycine 0 C--O 1.218 -0.848 0 CA-C-N 115.913 -0.585 . . . . 10.0 113.887 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.3 OUTLIER -54.56 -25.0 23.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -134.62 111.55 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 96.4 mttt 62.44 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.6 77.69 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -128.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.552 0.741 . . . . 10.0 112.899 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' E' ' 31' ' ' ILE . 65.7 mt -121.27 117.46 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.448 0.642 . . . . 10.0 112.167 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.461 HG22 HG12 ' E' ' 32' ' ' ILE . 16.4 pt -124.64 140.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.97 120.53 2.81 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.985 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.94 115.32 28.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.528 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 17.5 mmt -116.16 109.23 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 10.0 110.995 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.32 109.75 29.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.942 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.92 115.15 3.19 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.366 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.66 118.26 3.15 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.958 -0.639 . . . . 10.0 111.688 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 t -115.71 119.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.68 0.276 . . . . 10.0 110.337 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.383 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.146 0.498 . . . . 10.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.402 HG12 ' HD2' ' E' ' 14' ' ' HIS . 14.0 t -114.01 117.92 56.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.474 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -113.57 122.35 46.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.714 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . 0.402 ' HD2' HG12 ' E' ' 12' ' ' VAL . 5.0 m-70 -123.07 105.63 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.947 0.403 . . . . 10.0 110.591 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -115.9 120.14 38.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.627 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 91.0 mttt -127.88 124.32 37.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.03 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.85 113.99 19.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.256 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 19.3 t -123.55 126.02 72.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.665 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.527 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.96 115.43 29.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.63 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.68 102.31 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.994 0.426 . . . . 10.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -111.69 117.81 33.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.42 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -111.74 166.81 10.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.948 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -132.51 2.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.483 . . . . 10.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' F' ' 25' ' ' GLY . . . -54.42 109.61 1.27 Allowed Glycine 0 C--O 1.215 -1.042 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.001 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.547 ' HA ' ' HA2' ' D' ' 25' ' ' GLY . 1.2 m -96.71 -10.64 26.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -139.38 110.17 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 10.0 111.832 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 32.9 tttt 61.24 94.07 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -21.37 72.32 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.92 -0.872 . . . . 10.0 110.92 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.73 -104.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.869 1.062 . . . . 10.0 113.869 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' D' ' 31' ' ' ILE . 9.9 mm -137.27 117.04 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.333 . . . . 10.0 111.569 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.461 HG12 HG22 ' D' ' 32' ' ' ILE . 5.4 pt -127.6 139.37 52.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.15 123.88 3.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.29 -0.957 . . . . 10.0 113.519 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 80.8 mt -116.46 112.77 21.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.437 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -116.71 111.5 19.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.061 0.458 . . . . 10.0 111.872 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.17 118.32 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.552 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 106.36 1.04 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.193 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.94 117.6 3.98 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.761 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.48 122.15 67.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.896 0.379 . . . . 10.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.78 128.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 10.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -122.57 123.44 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -119.95 107.01 12.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.466 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -119.47 112.56 19.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.0 0.429 . . . . 10.0 109.982 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.627 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 48.0 mtmt -125.51 114.1 18.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 10.0 111.782 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.41 129.74 55.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.711 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.543 HG13 HG13 ' G' ' 18' ' ' VAL . 9.6 p -140.22 123.09 16.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.294 0.569 . . . . 10.0 111.351 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.4 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 5.5 m-85 -116.9 135.95 53.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.483 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -114.71 110.47 19.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.89 117.99 30.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -131.7 122.71 26.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.017 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.29 173.24 7.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' G' ' 25' ' ' GLY . 2.6 t -137.41 10.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.754 0.312 . . . . 10.0 110.414 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -61.51 89.73 0.05 OUTLIER Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.439 -0.41 . . . . 10.0 112.793 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.421 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.0 OUTLIER -68.42 -15.24 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -137.46 122.01 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 20.2 tptm 62.43 89.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.22 71.21 Favored Glycine 0 N--CA 1.459 0.228 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.548 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.29 -119.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 123.585 0.754 . . . . 10.0 112.786 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 56.7 mt -134.2 107.31 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 10.0 111.752 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.567 HG22 HG12 ' G' ' 32' ' ' ILE . 47.1 pt -121.35 138.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.495 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 134.7 7.22 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.828 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.468 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -124.09 110.84 15.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 1.9 mpt? -110.04 116.31 31.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.138 0.494 . . . . 10.0 110.976 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -112.13 113.6 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.773 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.5 3.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.029 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.3 110.95 1.41 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.85 -0.69 . . . . 10.0 112.22 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -114.37 121.44 66.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.687 0.28 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -110.45 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -113.58 120.37 40.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -125.81 109.36 12.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.467 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -122.55 122.41 38.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.628 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 44.2 mtmt -128.13 123.74 35.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.097 0.475 . . . . 10.0 111.646 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.71 119.83 36.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.996 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' H' ' 18' ' ' VAL . 9.4 t -127.3 123.66 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.525 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.0 131.06 53.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.01 115.03 28.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.407 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.67 104.75 8.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -129.07 122.9 30.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.23 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -131.39 154.72 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.33 66.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.707 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' H' ' 26' ' ' SER . . . -69.21 174.64 33.74 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.081 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.7 -47.34 0.08 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -137.39 114.88 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.222 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 82.7 mttt 69.6 106.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.941 0.775 . . . . 10.0 113.075 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.38 -8.57 86.1 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.419 -1.073 . . . . 10.0 110.419 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 71.13 -142.52 0.06 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.478 0.711 . . . . 10.0 111.926 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.839 ' HB ' HG12 ' H' ' 31' ' ' ILE . 70.0 mt -122.07 103.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 10.0 111.52 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.593 HG22 HG12 ' H' ' 32' ' ' ILE . 41.1 pt -118.46 136.22 56.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.504 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.18 129.79 6.42 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.402 -0.904 . . . . 10.0 112.934 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 7.1 mp -106.26 124.42 49.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.508 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 21.5 mmt -120.54 109.43 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.527 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 15.2 t -108.96 108.88 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.726 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -113.05 104.88 1.6 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.711 -0.756 . . . . 10.0 112.693 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.42 121.58 5.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.951 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.31 123.43 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 92.0 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.527 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.72 116.95 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.696 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -111.89 106.91 15.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -111.54 116.44 30.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -138.79 130.02 26.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.908 0.385 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 9.5 ptmt -137.32 139.58 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.877 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 118.36 23.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.817 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 59.2 t -128.32 123.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.631 -0.259 . . . . 10.0 110.324 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.18 141.49 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 10.0 110.94 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.79 118.41 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.089 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.15 103.21 8.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.602 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.04 137.89 54.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.584 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.23 -172.84 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.179 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.13 54.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.163 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.94 76.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.45 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' G' ' 25' ' ' GLY . 16.3 m -62.79 -31.89 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -123.18 104.12 8.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.658 0.266 . . . . 10.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.614 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 37.3 ttpt 64.18 98.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.43 -0.804 . . . . 10.0 112.129 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.36 4.42 41.71 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.72 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.39 -172.59 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.149 0.579 . . . . 10.0 112.441 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.839 HG12 ' HB ' ' G' ' 31' ' ' ILE . 74.2 mt -105.89 105.01 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.593 HG12 HG22 ' G' ' 32' ' ' ILE . 46.7 pt -126.79 158.3 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.115 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.36 110.41 0.8 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.447 -0.882 . . . . 10.0 113.257 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.21 99.92 12.3 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 9.8 ptp -114.95 131.31 56.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.205 0.526 . . . . 10.0 112.153 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.4 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 14.1 p -131.92 140.6 47.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.88 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.63 132.98 6.41 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 10.0 112.2 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.86 116.22 1.11 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.397 -0.681 . . . . 10.0 111.397 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.92 122.65 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 2.3 m . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.297 -0.858 . . . . 10.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -94.17 113.06 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.593 ' HE1' HG11 ' J' ' 40' ' ' VAL . 36.6 t60 -114.72 103.67 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.165 0.507 . . . . 10.0 112.044 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.89 97.57 6.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.464 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -131.39 120.02 22.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.927 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HE2' ' J' ' 16' ' ' LYS . 16.8 ptpt -141.43 137.64 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 10.0 111.558 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.21 126.04 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -123.57 115.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.35 111.03 20.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -87.59 110.61 20.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.788 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.04 99.63 8.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.833 0.349 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.835 ' HB3' ' HA ' ' J' ' 22' ' ' GLU . 9.3 tp10 -87.0 143.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -147.8 134.4 19.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.749 0.309 . . . . 10.0 111.22 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.784 ' CG2' ' HA ' ' J' ' 24' ' ' VAL . 18.1 m -134.42 32.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.515 0.674 . . . . 10.0 110.147 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' J' ' 26' ' ' SER . . . -72.43 108.42 2.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.225 -0.898 . . . . 10.0 112.075 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -67.96 -39.49 83.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.577 0.227 . . . . 10.0 110.969 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -151.52 138.37 18.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 74.3 mttt 63.34 86.08 0.12 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-N 114.197 -1.365 . . . . 10.0 113.86 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.61 -26.2 73.55 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.42 -149.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.4 mt -84.58 138.31 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -144.66 136.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.439 -0.801 . . . . 10.0 109.872 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -128.5 111.68 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.51 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -114.47 100.3 8.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.652 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.2 mpt? -106.82 118.29 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 10.0 111.623 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 t -114.12 119.62 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.784 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.64 84.59 0.35 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.808 -0.71 . . . . 10.0 111.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.96 73.85 0.71 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.217 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.559 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.6 t -75.87 96.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.501 . . . . 10.0 110.406 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' J' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.73 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.93 113.68 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.438 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.465 ' CE1' HG11 ' K' ' 40' ' ' VAL . 52.0 t60 -113.17 116.85 30.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.688 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.82 109.1 13.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -128.6 121.24 28.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.96 0.41 . . . . 10.0 110.928 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.51 ' HE2' ' HD2' ' I' ' 16' ' ' LYS . 95.4 mttt -125.53 123.64 39.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.47 109.98 18.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 t -121.51 117.09 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.933 0.397 . . . . 10.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -118.46 132.63 56.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.33 117.75 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.899 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.61 105.44 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.842 0.354 . . . . 10.0 110.294 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' I' ' 22' ' ' GLU . 13.3 tt0 -102.49 117.76 35.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.612 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.541 ' OD1' ' HA ' ' I' ' 23' ' ' ASP . 0.0 OUTLIER -107.69 144.27 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.581 0.551 . . . . 10.0 110.989 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.784 ' HA ' ' CG2' ' I' ' 24' ' ' VAL . 17.5 t -125.85 18.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 10.0 110.186 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.623 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 80.31 0.11 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.774 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.535 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 1.7 m -68.25 -22.25 64.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -140.98 114.66 8.92 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.347 -0.221 . . . . 10.0 111.079 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 23.4 mmtp 63.64 95.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.97 -18.19 77.54 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.671 -0.972 . . . . 10.0 110.671 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.74 -86.6 0.03 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.863 0.865 . . . . 10.0 112.947 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.3 tt -165.6 104.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.898 0.856 . . . . 10.0 112.198 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.661 HG22 HG12 ' K' ' 32' ' ' ILE . 46.8 pt -113.38 138.68 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.469 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.04 130.8 5.88 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.383 -0.913 . . . . 10.0 113.212 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 5.8 mp -129.04 118.88 23.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.652 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.2 mpt? -123.71 115.54 21.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.964 0.411 . . . . 10.0 111.2 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 p -113.78 114.58 47.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.29 0.567 . . . . 10.0 110.803 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 122.73 5.65 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.71 106.66 0.81 Allowed Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.439 -0.664 . . . . 10.0 111.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -101.92 104.29 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.593 HG11 ' HE1' ' I' ' 13' ' ' HIS . 59.1 t . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.748 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' L' ' 11' ' ' GLU . 11.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.75 0.309 . . . . 10.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.07 113.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.026 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -111.73 115.46 29.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -121.04 102.13 8.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.545 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -117.52 123.84 47.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.927 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -127.15 126.54 43.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.198 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -120.32 111.73 18.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.577 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.15 116.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 10.0 110.624 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -120.76 129.84 53.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.076 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -109.05 117.98 35.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.33 103.79 7.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.021 0.438 . . . . 10.0 110.066 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.84 120.12 40.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.997 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.73 154.94 24.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' L' ' 26' ' ' SER . 4.3 t -134.59 25.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.702 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . 0.653 ' HA2' ' O ' ' L' ' 25' ' ' GLY . . . -69.99 75.74 0.46 Allowed Glycine 0 C--O 1.223 -0.571 0 CA-C-N 115.91 -0.586 . . . . 10.0 113.46 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . 0.7 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 10.0 m -56.18 -32.06 64.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -126.49 107.73 10.52 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.484 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 89.6 mttt 64.49 100.27 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.73 -23.12 78.43 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -119.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 12.9 mt -128.14 104.73 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.661 HG12 HG22 ' J' ' 32' ' ' ILE . 11.9 pt -116.18 140.15 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 121.019 -0.272 . . . . 10.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.38 122.48 3.12 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.343 -0.932 . . . . 10.0 113.022 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.454 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.2 mp -119.25 111.48 18.27 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.86 123.21 48.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.268 0.556 . . . . 10.0 111.601 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 5.9 t -114.55 123.85 70.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.328 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.04 105.77 0.82 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.006 -0.616 . . . . 10.0 112.211 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.37 113.92 2.93 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.949 -0.643 . . . . 10.0 111.66 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 t -112.78 117.56 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 10.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.465 HG11 ' CE1' ' J' ' 13' ' ' HIS . 24.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' K' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.708 0.29 . . . . 10.0 110.987 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.53 107.19 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -110.18 117.52 33.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.935 0.397 . . . . 10.0 111.502 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . 0.453 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 7.9 m-70 -120.98 106.63 11.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.039 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -120.34 120.47 36.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.364 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . 0.453 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -126.48 122.61 35.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 10.0 111.183 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.56 114.35 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.363 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 3.1 t -126.02 119.39 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.876 0.369 . . . . 10.0 110.942 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -121.9 130.89 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.709 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.95 112.03 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.757 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.58 111.75 18.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 10.0 110.066 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.0 121.9 44.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.043 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' L' ' 25' ' ' GLY . 0.6 OUTLIER -114.91 161.96 17.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.857 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.1 t -139.75 30.37 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . 0.653 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -73.65 79.41 0.83 Allowed Glycine 0 C--O 1.22 -0.747 0 CA-C-N 115.959 -0.564 . . . . 10.0 113.974 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.7 OUTLIER -53.11 -31.25 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -132.84 116.55 16.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 83.5 mttt 62.27 96.75 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -24.72 76.69 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.52 -122.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.555 0.946 . . . . 10.0 113.555 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 38.5 mt -126.75 115.09 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.369 0.604 . . . . 10.0 112.228 -177.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.492 HG22 HG12 ' M' ' 32' ' ' ILE . 22.5 pt -123.17 138.58 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.995 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.12 123.7 4.51 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.83 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.0 115.63 24.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.19 108.63 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.17 0.509 . . . . 10.0 111.325 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 t -106.74 108.31 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.821 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.528 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.09 113.81 3.15 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.585 -0.817 . . . . 10.0 112.368 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.15 120.44 4.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.046 -0.597 . . . . 10.0 111.743 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -119.42 124.65 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.069 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.083 0.468 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -111.88 113.83 45.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.478 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -111.48 118.93 37.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.589 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -119.49 104.37 10.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.78 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -113.43 118.88 35.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . 0.434 ' HD2' ' HE2' ' N' ' 16' ' ' LYS . 88.1 mttt -128.95 117.46 21.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.549 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.89 118.42 31.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.327 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 41.2 t -127.03 124.15 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.637 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.432 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 7.6 m-85 -119.79 130.46 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.992 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -108.24 116.66 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.149 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.6 100.12 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 10.0 110.127 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.09 119.38 39.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.736 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.73 164.65 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.852 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' N' ' 24' ' ' VAL . 3.5 t -131.7 5.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.029 0.442 . . . . 10.0 110.333 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -53.63 106.82 0.5 Allowed Glycine 0 C--O 1.213 -1.164 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.504 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 0.9 OUTLIER -87.58 -22.1 24.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.82 120.3 17.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' N' ' 28' ' ' LYS . 0.5 OUTLIER 61.82 90.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.188 -0.915 . . . . 10.0 113.204 178.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.6 -24.06 72.4 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 111.142 -0.783 . . . . 10.0 111.142 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.793 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 76.62 -115.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 3.7 mp -133.56 119.06 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 10.0 112.003 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.492 HG12 HG22 ' L' ' 32' ' ' ILE . 7.4 pt -127.01 144.0 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.883 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.14 125.02 3.73 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -117.59 108.56 15.62 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.36 113.88 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.442 . . . . 10.0 111.923 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 t -111.0 118.99 58.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.0 106.97 1.12 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.72 -0.752 . . . . 10.0 112.276 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.2 116.09 3.62 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.91 -0.662 . . . . 10.0 111.735 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.65 119.32 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.194 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.578 0.227 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.81 124.82 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.304 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . 0.452 ' CE1' HG21 ' O' ' 40' ' ' VAL . 60.3 t60 -124.88 120.25 31.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.62 109.77 16.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -120.75 113.63 20.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . 0.434 ' HE2' ' HD2' ' M' ' 16' ' ' LYS . 39.6 mttt -127.09 120.75 29.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 10.0 111.991 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.25 125.29 50.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.747 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -131.01 122.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.438 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HG21 ' P' ' 36' ' ' VAL . 8.7 m-85 -119.85 130.02 54.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.1 112.57 24.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.099 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.46 110.91 16.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -127.64 123.64 36.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.416 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.45 172.62 7.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.3 t -136.89 10.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 10.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -61.01 90.59 0.05 OUTLIER Glycine 0 C--O 1.22 -0.75 0 C-N-CA 121.31 -0.472 . . . . 10.0 112.839 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 1.0 OUTLIER -71.51 -4.16 25.18 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -146.63 118.45 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.991 -0.443 . . . . 10.0 111.981 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.793 ' HD2' ' HB2' ' M' ' 30' ' ' ALA . 7.6 tptp 62.8 91.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.32 -19.79 72.76 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.621 -0.8 . . . . 10.0 111.388 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.23 -113.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' O' ' 31' ' ' ILE . 52.2 mt -140.19 107.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 10.0 111.485 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -123.55 136.52 59.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.703 0.287 . . . . 10.0 110.6 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 135.85 8.3 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 10.0 112.775 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.2 mp -124.05 110.71 15.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -109.97 115.68 30.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 10.0 110.958 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -111.45 113.63 44.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.985 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.61 114.77 3.44 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.013 -0.613 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.41 110.01 1.35 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.193 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.54 123.26 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.014 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.797 0.332 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.41 101.75 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -104.42 122.55 45.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.297 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -128.33 111.27 13.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.054 0.454 . . . . 10.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -121.43 119.04 30.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.373 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -124.48 118.77 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.524 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.92 119.54 35.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.132 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 13.9 t -129.41 125.22 61.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -123.54 132.17 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.954 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -111.15 114.72 28.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.488 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.17 105.97 9.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -130.66 125.75 34.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.342 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -136.22 138.57 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' P' ' 24' ' ' VAL . 0.0 OUTLIER -92.97 63.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.925 0.393 . . . . 10.0 111.499 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' N' ' 24' ' ' VAL . . . -65.1 174.38 16.3 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.032 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -150.65 -44.62 0.12 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.239 0.542 . . . . 10.0 109.959 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.097 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.56 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 81.6 mttt 68.7 101.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.141 0.793 . . . . 10.0 113.141 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.77 -9.83 86.36 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 70.77 -140.89 0.06 Allowed 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 123.317 0.647 . . . . 10.0 112.096 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.705 HG12 ' HB ' ' N' ' 31' ' ' ILE . 79.0 mt -120.58 107.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.484 0.659 . . . . 10.0 111.863 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.652 HG23 HG23 ' P' ' 32' ' ' ILE . 22.4 mt -116.39 133.31 63.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.252 -0.886 . . . . 10.0 109.629 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.43 119.49 3.08 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.494 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.487 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -101.92 122.27 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.47 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.6 mmt -119.59 107.42 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.669 0.271 . . . . 10.0 110.701 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.432 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 12.1 t -106.91 108.4 25.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . 0.508 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -110.5 102.26 1.49 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.508 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.66 117.29 3.91 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.087 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 12.7 t -122.15 121.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.4 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.593 0.235 . . . . 10.0 111.216 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.348 -0.242 . . . . 10.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.1 138.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.089 0.471 . . . . 10.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -127.49 104.01 7.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.66 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -107.73 98.49 8.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.52 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -111.3 130.56 55.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.826 0.346 . . . . 10.0 110.557 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -129.86 127.93 41.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.922 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 tp -132.84 121.43 22.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.125 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.9 p -141.85 136.87 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.063 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -136.34 141.71 43.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.778 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -116.07 120.94 40.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.79 110.32 10.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.987 0.422 . . . . 10.0 111.147 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -126.92 148.77 50.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.68 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.7 -174.31 4.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.571 ' HA ' HG23 ' O' ' 24' ' ' VAL . 3.1 m -139.47 47.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.942 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . 0.425 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -78.96 70.88 2.68 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.784 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -39.35 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 10.0 110.972 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -126.9 109.43 11.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.064 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . 0.548 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 9.6 ttmt 65.83 99.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.986 0.803 . . . . 10.0 112.597 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.52 0.19 61.18 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.294 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.75 -171.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.349 0.66 . . . . 10.0 112.657 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.498 HD12 ' HB ' ' O' ' 31' ' ' ILE . 13.9 mm -92.17 111.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.652 HG23 HG23 ' O' ' 32' ' ' ILE . 5.7 tt -134.37 137.32 51.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.022 0.439 . . . . 10.0 110.917 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.99 130.16 7.04 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.506 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.42 102.56 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -98.45 118.82 35.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.898 0.38 . . . . 10.0 111.863 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . 0.451 HG21 ' HZ ' ' N' ' 19' ' ' PHE . 25.8 t -117.2 130.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . 0.502 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -135.0 128.05 4.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.123 -1.037 . . . . 10.0 112.824 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.13 114.51 0.81 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.252 -0.739 . . . . 10.0 111.252 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 30.8 t -125.31 121.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.772 0.286 . . . . 10.0 110.48 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 19.2 t . . . . . 0 N--CA 1.457 -0.1 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -107.71 112.64 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.699 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -121.16 106.67 11.75 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.15 128.02 47.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.234 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HB2' ' HD3' ' B' ' 16' ' ' LYS . 83.7 mttt -135.8 129.01 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.924 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -133.38 128.9 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.621 0.724 . . . . 10.0 112.108 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.38 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.407 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -87.9 100.12 12.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.766 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.8 102.26 11.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.725 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.33 117.51 31.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.3 143.94 44.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.034 0.445 . . . . 10.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 23' ' ' ASP . 2.9 t -124.02 32.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.663 0.744 . . . . 10.0 109.072 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.656 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -73.38 88.11 0.6 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.7 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -20.63 55.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.95 109.14 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.668 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 91.6 mttt 63.02 96.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.23 -23.61 77.89 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.68 -127.39 0.06 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' HB ' HG12 ' B' ' 31' ' ' ILE . 28.3 mm -109.86 135.91 47.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.019 0.438 . . . . 10.0 111.557 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.12 141.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.856 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -137.16 119.45 1.91 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.446 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.4 mt -116.27 101.36 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.444 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.6 mpt? -106.45 101.42 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.941 0.401 . . . . 10.0 111.829 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.37 112.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.755 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.29 90.71 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.036 -0.602 . . . . 10.0 112.486 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.42 83.3 0.58 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.009 -0.615 . . . . 10.0 111.605 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG21 ' HA3' ' I' ' 33' ' ' GLY . 25.7 t -82.76 109.33 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.892 0.377 . . . . 10.0 110.641 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.7 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.425 0.155 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.518 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 18.7 t -113.84 118.14 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 10.0 110.802 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -120.57 118.9 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.566 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -124.28 108.4 12.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.745 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -120.62 123.01 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.384 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.552 ' HD3' ' HB2' ' A' ' 16' ' ' LYS . 3.8 tppp? -125.2 120.18 30.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.248 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.601 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -114.1 108.39 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.816 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' C' ' 18' ' ' VAL . 2.3 m -119.25 111.22 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 10.0 110.878 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -115.28 127.07 55.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -111.07 110.46 21.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.24 107.99 14.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.923 0.392 . . . . 10.0 110.376 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.75 120.03 40.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.512 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.75 148.35 31.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.656 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.5 t -129.06 26.44 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 10.0 109.538 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.656 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -68.25 78.02 0.23 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.879 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -64.29 -25.84 68.23 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.437 0.295 . . . . 10.0 111.747 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -136.55 108.86 7.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.69 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 79.0 mttt 63.96 103.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 114.319 1.229 . . . . 10.0 114.319 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.07 -19.28 79.95 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 111.071 -0.812 . . . . 10.0 111.071 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.59 -107.02 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.739 0.815 . . . . 10.0 112.939 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 96.6 mt -140.28 105.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.348 0.594 . . . . 10.0 111.363 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.677 HG22 HG12 ' C' ' 32' ' ' ILE . 41.2 pt -120.16 136.66 56.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.299 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.68 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -138.31 135.99 7.81 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.152 -1.023 . . . . 10.0 113.401 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.0 mp -127.47 122.18 32.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.6 mpt? -117.96 115.48 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 10.0 111.116 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.85 106.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.58 110.85 2.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.772 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.32 116.27 2.63 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.541 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -116.35 112.67 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.645 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.63 0.252 . . . . 10.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 t -121.76 116.63 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.047 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -117.59 121.51 41.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -121.69 111.1 16.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.107 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -123.76 119.63 30.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 10.0 110.743 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -124.99 124.08 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.361 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.451 HD13 ' HG ' ' B' ' 17' ' ' LEU . 5.4 mp -114.19 108.44 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.706 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.476 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.7 t -114.79 113.14 42.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -123.7 126.63 46.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 10.0 111.419 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -112.9 125.39 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.584 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.47 100.69 5.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -102.5 111.16 23.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.224 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -104.29 154.22 20.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.742 0.651 . . . . 10.0 109.577 179.516 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.8 t -133.47 27.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.315 0.579 . . . . 10.0 109.48 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.628 ' HA2' ' O ' ' D' ' 25' ' ' GLY . . . -69.07 75.55 0.33 Allowed Glycine 0 C--O 1.225 -0.438 0 CA-C-N 115.635 -0.711 . . . . 10.0 113.846 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.677 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 29.1 m -56.51 -34.08 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -124.5 106.19 9.98 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mttt 65.01 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.374 1.25 . . . . 10.0 114.374 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.07 -17.73 74.02 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.365 -1.094 . . . . 10.0 110.365 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.77 -117.57 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' B' ' 31' ' ' ILE . 36.8 mt -132.35 107.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 10.0 111.852 -178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.677 HG12 HG22 ' B' ' 32' ' ' ILE . 12.0 pt -117.5 139.94 42.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.375 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.32 124.92 3.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -119.54 107.55 13.43 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -111.5 118.87 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.313 0.577 . . . . 10.0 111.628 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 t -112.68 129.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.453 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.76 103.78 0.6 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.018 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.06 110.82 2.59 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.962 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.45 112.28 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.516 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 7.0 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.773 0.321 . . . . 10.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.01 116.7 50.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.431 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -117.67 123.21 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.542 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -122.56 102.56 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.16 121.49 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.171 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' HE2' ' E' ' 16' ' ' LYS . 63.2 mttp -127.84 120.79 28.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.118 0.485 . . . . 10.0 111.789 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' E' ' 17' ' ' LEU . 4.0 mm? -108.55 120.43 42.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.324 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 0.2 OUTLIER -128.51 111.55 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.367 . . . . 10.0 110.658 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -122.43 127.19 49.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.89 116.64 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.26 114.74 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 10.0 110.403 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -112.27 121.94 46.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.3 OUTLIER -116.25 158.49 23.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.522 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.9 t -139.3 23.01 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.628 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -69.97 81.47 0.34 Allowed Glycine 0 C--O 1.221 -0.708 0 CA-C-N 115.985 -0.552 . . . . 10.0 113.516 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 14.6 m -59.44 -23.18 62.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -134.0 108.0 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.776 0.287 . . . . 10.0 111.776 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' E' ' 28' ' ' LYS . 91.2 mttt 66.93 104.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 114.135 1.161 . . . . 10.0 114.135 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -17.07 80.28 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.138 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -132.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 46.6 mt -123.7 105.64 15.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 10.0 111.818 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.547 ' HB ' HG12 ' E' ' 32' ' ' ILE . 28.5 pt -118.15 141.3 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.646 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 131.11 6.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.422 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.23 119.32 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.538 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.3 mmt -117.56 110.53 18.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.545 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 t -109.77 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.4 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -111.33 116.94 4.36 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.56 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.19 119.08 3.31 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.637 -0.585 . . . . 10.0 111.637 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -117.2 120.68 65.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.981 0.419 . . . . 10.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.239 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.78 111.79 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.772 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -116.15 120.76 40.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.844 0.354 . . . . 10.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.91 114.89 24.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.337 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.57 116.5 23.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 10.0 110.211 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.42 ' HE2' ' HD2' ' D' ' 16' ' ' LYS . 95.0 mttt -124.78 128.22 48.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.183 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.569 ' HB2' HD13 ' D' ' 17' ' ' LEU . 5.0 mp -126.35 107.8 10.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.014 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 11.5 t -114.24 119.39 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.681 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.426 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 12.9 m-85 -120.27 129.73 54.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.309 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -111.43 117.68 33.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.535 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.13 101.26 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -110.46 123.44 49.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.933 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.33 161.76 25.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.788 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' F' ' 26' ' ' SER . 1.9 t -136.18 28.64 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.845 0.355 . . . . 10.0 110.23 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.579 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -69.73 79.46 0.35 Allowed Glycine 0 C--O 1.222 -0.655 0 CA-C-N 116.335 -0.393 . . . . 10.0 113.024 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.4 m -53.7 -27.99 31.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.078 0.769 . . . . 10.0 113.078 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -129.08 106.69 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.936 -0.306 . . . . 10.0 111.173 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 80.5 mttt 68.55 100.62 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.179 1.177 . . . . 10.0 114.179 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.26 -24.05 74.84 Favored Glycine 0 CA--C 1.518 0.22 0 N-CA-C 110.172 -1.171 . . . . 10.0 110.172 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.48 -143.34 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 11.4 mm -102.1 114.92 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 10.0 111.921 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.547 HG12 ' HB ' ' D' ' 32' ' ' ILE . 1.2 pt -125.9 141.91 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.49 118.65 1.82 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.406 -0.902 . . . . 10.0 112.931 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -111.06 111.59 22.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.513 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -114.44 111.91 22.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.025 0.441 . . . . 10.0 111.844 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -108.1 124.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.81 103.47 0.58 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 10.0 112.217 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.26 116.55 3.85 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.003 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.443 HG21 ' HA3' ' M' ' 33' ' ' GLY . 27.3 t -118.68 115.88 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.756 0.313 . . . . 10.0 110.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.403 HG12 ' CG1' ' F' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.906 0.384 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.41 117.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.516 0.674 . . . . 10.0 110.672 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -119.86 123.26 43.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.722 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.04 113.36 19.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.495 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -119.33 112.44 19.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.917 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -120.29 114.92 22.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.55 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.35 126.33 55.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.681 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.96 119.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.457 0.646 . . . . 10.0 111.498 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.507 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 8.0 m-85 -120.16 132.96 55.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.757 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -116.61 108.25 15.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.81 110.17 19.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -125.86 121.72 34.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -118.44 163.64 16.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 2.1 t -128.65 9.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.995 0.426 . . . . 10.0 110.653 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -56.6 108.98 1.36 Allowed Glycine 0 C--O 1.215 -1.061 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.846 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 0.7 OUTLIER -82.82 -11.23 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.08 0.77 . . . . 10.0 113.08 -177.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -141.22 119.27 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.528 0.566 . . . . 10.0 112.528 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.733 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 15.4 tptm 59.54 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.75 -10.32 71.65 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.48 -108.31 0.11 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 24.7 mt -140.65 108.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.956 0.408 . . . . 10.0 111.259 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.651 HG22 ' HB ' ' G' ' 32' ' ' ILE . 12.7 pt -125.69 134.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.025 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.72 136.47 8.67 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.693 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -126.48 109.86 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 2.0 mpt? -108.98 121.77 45.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.978 0.418 . . . . 10.0 111.072 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.88 113.11 41.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.12 113.63 3.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.985 -0.626 . . . . 10.0 111.989 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.14 113.62 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.124 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.84 125.29 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 5.2 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.679 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.958 0.409 . . . . 10.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -116.89 95.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -111.21 124.81 52.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.874 0.369 . . . . 10.0 111.264 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -125.76 104.67 8.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.956 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -112.24 131.87 55.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.373 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -133.76 127.63 33.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.957 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.96 110.55 17.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.001 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -115.13 111.67 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.619 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -122.53 124.43 43.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.778 0.323 . . . . 10.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -116.08 125.2 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 105.71 6.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.524 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -124.98 119.91 30.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.23 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -126.68 132.7 51.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.4 t -87.67 61.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.17 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -65.26 172.06 22.85 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.325 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 7.4 m -148.63 -55.3 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.421 . . . . 10.0 109.885 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -125.96 111.86 15.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.733 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 45.5 mtmt 64.34 107.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.83 -15.33 78.14 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.81 -0.916 . . . . 10.0 110.81 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.844 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 75.36 -129.68 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 113.145 0.795 . . . . 10.0 113.145 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 54.3 mt -121.64 108.88 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.207 0.527 . . . . 10.0 111.544 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.651 ' HB ' HG22 ' F' ' 32' ' ' ILE . 56.1 mt -122.18 127.71 75.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.105 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.22 124.01 4.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.453 -0.879 . . . . 10.0 112.889 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 6.6 mp -108.13 125.45 51.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.533 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 17.5 mmt -122.88 104.78 9.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.931 0.396 . . . . 10.0 110.981 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.426 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 20.7 t -102.25 112.97 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -117.24 109.69 1.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.349 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.47 119.82 4.1 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.009 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 37.8 t -123.48 118.84 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 61.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.99 123.86 66.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.644 0.259 . . . . 10.0 110.701 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -128.51 119.96 25.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 10.0 110.841 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.25 111.35 18.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.805 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -126.58 125.68 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.373 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -134.89 134.02 40.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 10.0 111.977 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.82 127.48 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.018 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -129.2 111.11 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.146 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.09 126.2 45.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -120.91 113.38 20.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.6 120.38 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.707 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.69 147.74 52.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.132 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -155.59 172.51 18.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.731 -0.213 . . . . 10.0 110.511 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' G' ' 24' ' ' VAL . 2.4 t -129.23 75.19 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.032 0.444 . . . . 10.0 109.983 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.492 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -86.61 78.59 1.9 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.0 -0.546 . . . . 10.0 112.094 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.102 0.477 . . . . 10.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -130.14 104.97 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.465 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.844 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 26.9 ttpt 68.54 111.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.862 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.99 8.27 67.37 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.003 -0.618 . . . . 10.0 111.768 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.3 -158.7 0.32 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.13 0.572 . . . . 10.0 112.124 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 46.0 mt -105.68 107.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.167 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.11 141.79 42.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.23 129.99 6.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.895 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 49.0 tp -112.67 101.46 9.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.533 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.2 mpt? -106.99 135.28 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.923 0.392 . . . . 10.0 111.144 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.507 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 5.5 p -135.94 131.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.779 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.44 115.61 1.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.555 -0.831 . . . . 10.0 112.672 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.69 112.69 1.81 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.835 -0.698 . . . . 10.0 111.705 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 22.5 t -119.83 126.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.528 -0.748 . . . . 10.0 111.078 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' J' ' 12' ' ' VAL . 22.8 t -103.21 104.74 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -106.47 116.11 31.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.375 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.33 100.94 6.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -131.89 126.42 34.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.767 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' I' ' 16' ' ' LYS . 12.0 ptpt -140.63 134.01 29.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.155 0.502 . . . . 10.0 111.751 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.449 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.0 mp -119.88 117.03 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.452 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -121.72 121.89 65.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.951 0.405 . . . . 10.0 110.801 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -115.28 115.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.22 110.95 23.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.59 93.07 3.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.932 0.396 . . . . 10.0 111.36 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.13 112.18 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.98 140.34 46.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.415 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.794 HG22 ' HA ' ' J' ' 24' ' ' VAL . 27.3 m -122.38 33.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.607 0.718 . . . . 10.0 110.516 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -71.82 95.41 0.63 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.007 -0.997 . . . . 10.0 111.661 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -32.24 73.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.21 134.94 19.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 68.9 mttm 61.95 82.76 0.16 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.536 -1.211 . . . . 10.0 113.262 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.13 -26.37 73.38 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.91 -138.27 0.07 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 13.1 mm -97.83 137.51 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 10.0 112.21 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -148.11 141.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.498 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -138.77 120.3 1.91 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.435 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.74 107.61 13.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.534 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.4 mpt? -113.17 111.92 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 10.0 111.932 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.83 116.52 52.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.079 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.97 88.04 0.43 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.094 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 80.26 0.48 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.038 -0.601 . . . . 10.0 111.682 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.91 ' HB ' HG12 ' J' ' 39' ' ' VAL . 28.6 t -85.76 104.89 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.188 0.518 . . . . 10.0 110.462 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.591 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' K' ' 11' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.851 0.357 . . . . 10.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' I' ' 12' ' ' VAL . 27.1 t -114.27 117.2 54.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.638 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -117.11 117.66 30.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -122.1 106.43 11.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.224 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -120.11 123.41 43.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.73 123.44 35.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.375 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.509 ' HG ' HD13 ' K' ' 17' ' ' LEU . 5.6 mp -117.24 111.71 19.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.8 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 114.07 41.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.391 0.615 . . . . 10.0 111.284 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.51 122.61 45.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -106.31 114.59 28.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.891 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 109.02 13.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.819 0.342 . . . . 10.0 110.347 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -102.85 119.93 39.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.992 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.88 144.12 38.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.591 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.794 ' HA ' HG22 ' I' ' 24' ' ' VAL . 13.3 t -125.73 22.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.44 0.638 . . . . 10.0 109.663 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -70.09 67.58 0.67 Allowed Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.677 -0.692 . . . . 10.0 113.362 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.443 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 0.1 OUTLIER -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.047 0.758 . . . . 10.0 113.047 -179.294 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -130.57 110.14 11.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.054 -0.258 . . . . 10.0 111.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.695 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 11.4 mmmt 64.83 98.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.345 0.869 . . . . 10.0 113.345 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.51 -16.64 77.56 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.395 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.81 -95.01 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.612 0.765 . . . . 10.0 112.753 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 14.5 tt -160.52 106.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.811 0.815 . . . . 10.0 112.555 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.62 HG22 HG12 ' K' ' 32' ' ' ILE . 46.0 pt -116.86 142.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.419 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.81 131.51 5.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.347 -0.93 . . . . 10.0 113.1 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.599 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.4 mp -125.41 119.34 28.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.534 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.3 mpt? -122.48 109.66 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.01 0.433 . . . . 10.0 111.016 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.474 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.0 p -112.1 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.096 0.474 . . . . 10.0 110.52 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.55 125.04 6.52 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.973 -0.632 . . . . 10.0 111.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.51 115.64 1.4 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.866 -0.683 . . . . 10.0 111.539 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.91 HG12 ' HB ' ' I' ' 39' ' ' VAL . 3.9 m -114.56 119.13 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.112 0.482 . . . . 10.0 110.865 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' K' ' 40' ' ' VAL . 47.1 t . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.568 ' HB2' ' HG3' ' J' ' 11' ' ' GLU . 50.0 mt-10 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.92 0.391 . . . . 10.0 111.336 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.97 111.95 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.843 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -113.95 124.41 52.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.439 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -122.19 112.22 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.975 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -123.68 119.59 30.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.939 0.4 . . . . 10.0 110.655 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -123.83 125.38 44.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.509 HD13 ' HG ' ' J' ' 17' ' ' LEU . 5.5 mp -116.97 105.26 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.501 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 t -113.72 115.19 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.662 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.51 122.99 39.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.935 0.398 . . . . 10.0 111.329 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -108.75 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.107 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.5 104.93 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 10.0 110.19 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' L' ' 23' ' ' ASP . 34.0 tt0 -105.02 115.97 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.21 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -108.04 155.29 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.437 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.754 ' O ' ' HA ' ' L' ' 26' ' ' SER . 7.4 t -134.12 25.92 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.152 0.501 . . . . 10.0 109.754 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . 0.644 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -68.8 74.34 0.33 Allowed Glycine 0 C--O 1.224 -0.507 0 CA-C-N 116.01 -0.541 . . . . 10.0 114.04 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . 0.711 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 8.0 m -52.89 -37.48 60.58 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -123.68 113.41 18.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.206 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.695 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 88.5 mttt 61.48 98.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.81 -18.23 74.0 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.342 -1.103 . . . . 10.0 110.342 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.07 -120.13 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.329 0.862 . . . . 10.0 113.329 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 14.2 mt -130.28 105.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 10.0 111.837 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.62 HG12 HG22 ' J' ' 32' ' ' ILE . 8.9 pt -116.66 137.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.27 124.99 4.29 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 113.058 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.599 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -119.68 109.18 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -113.37 123.46 50.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 10.0 111.424 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.474 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -116.9 128.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.575 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.86 102.51 0.62 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.151 -0.547 . . . . 10.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.74 107.66 2.16 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.783 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 t -108.2 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' J' ' 40' ' ' VAL . 34.8 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.653 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 10.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 t -122.24 106.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' M' ' 40' ' ' VAL . 47.2 t60 -112.93 123.23 49.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.324 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -122.82 104.55 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.652 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -112.51 120.66 42.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -128.24 118.58 23.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.993 0.425 . . . . 10.0 111.862 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.7 mm? -107.95 118.23 36.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.362 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 0.6 OUTLIER -126.09 110.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.023 0.439 . . . . 10.0 110.935 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.46 131.08 54.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.908 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.9 119.61 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.93 113.57 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -111.32 121.26 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.584 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -116.56 159.11 22.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 10.0 109.98 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.8 t -139.77 22.61 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . 0.626 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -70.45 78.92 0.44 Allowed Glycine 0 C--O 1.219 -0.785 0 CA-C-N 115.857 -0.61 . . . . 10.0 113.632 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . 0.754 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 14.4 m -59.7 -23.99 63.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -129.06 105.77 8.42 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.311 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.9 mttt 65.48 103.49 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 114.343 1.238 . . . . 10.0 114.343 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.69 -18.15 78.53 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.83 -0.908 . . . . 10.0 110.83 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.21 -133.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.591 ' O ' ' HA ' ' M' ' 31' ' ' ILE . 47.3 mt -122.67 106.59 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.974 0.416 . . . . 10.0 111.868 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.414 ' HB ' HG12 ' M' ' 32' ' ' ILE . 35.4 pt -118.49 141.2 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.3 129.61 5.94 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.619 -0.801 . . . . 10.0 113.301 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -120.05 119.82 34.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.4 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.5 mpt? -121.85 110.69 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.202 0.525 . . . . 10.0 111.05 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.08 106.29 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.215 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.538 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -111.43 116.83 4.32 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.364 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.03 120.12 3.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.081 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -119.99 124.56 72.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 9.2 p . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.605 0.241 . . . . 10.0 110.79 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 39.3 t -121.17 113.76 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.25 112.08 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.404 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -118.37 114.19 22.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.089 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -124.95 121.8 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.305 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.4 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -120.52 114.72 22.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.1 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.478 ' HB ' HG12 ' N' ' 18' ' ' VAL . 6.9 t -119.02 121.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.463 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.59 130.07 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.346 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -113.2 118.79 35.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.394 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.35 102.85 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 10.0 110.024 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -113.77 126.15 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.285 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.9 161.23 27.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' N' ' 26' ' ' SER . 1.8 t -132.89 29.18 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.813 0.339 . . . . 10.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.626 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -69.11 80.79 0.26 Allowed Glycine 0 C--O 1.223 -0.579 0 CA-C-N 116.281 -0.418 . . . . 10.0 113.396 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 2.3 m -54.77 -31.97 59.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -124.17 109.72 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.979 0.362 . . . . 10.0 111.979 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.8 tppt? 65.35 95.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.246 -0.888 . . . . 10.0 113.297 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -24.29 69.44 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.293 -0.723 . . . . 10.0 111.293 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' CD ' ' N' ' 28' ' ' LYS . . . 78.78 -143.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.591 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.6 mt -109.69 118.63 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 112.27 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' L' ' 32' ' ' ILE . 3.1 pt -126.28 145.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.918 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -134.43 121.03 2.57 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.86 108.68 17.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' N' ' 35' ' ' MET . 1.7 mpt? -113.7 113.61 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.005 0.431 . . . . 10.0 111.897 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.54 121.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.584 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 105.86 0.89 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.094 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.65 115.79 3.39 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.768 -0.73 . . . . 10.0 111.739 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.51 121.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.64 0.257 . . . . 10.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 1.6 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.3 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.654 0.264 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.2 118.09 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.942 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . 0.451 ' CE1' HG21 ' O' ' 40' ' ' VAL . 8.4 t60 -121.28 121.5 37.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -121.0 117.17 26.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.851 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -121.11 115.23 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.078 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -121.87 120.7 35.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.378 . . . . 10.0 111.366 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.64 121.57 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.358 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' M' ' 18' ' ' VAL . 2.0 m -128.7 119.11 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.107 0.48 . . . . 10.0 111.269 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -121.54 126.42 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -114.25 112.19 22.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.04 108.79 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -123.06 123.22 40.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.684 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -120.87 166.27 14.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.2 t -130.95 11.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.921 0.391 . . . . 10.0 110.395 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -58.87 102.85 0.31 Allowed Glycine 0 C--O 1.215 -1.052 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 0.8 OUTLIER -80.88 -5.54 57.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -143.38 114.81 8.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 2.4 tppp? 60.59 98.75 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.8 -7.63 66.18 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.663 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.99 -109.03 0.18 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 24.8 mt -141.08 107.85 2.11 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.846 0.355 . . . . 10.0 110.94 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.528 HG22 ' HB ' ' O' ' 32' ' ' ILE . 17.5 pt -125.78 135.31 64.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.663 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.25 137.97 9.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.831 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.1 mp -126.47 111.14 14.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' M' ' 35' ' ' MET . 1.8 mpt? -109.79 119.98 41.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.32 114.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.29 114.28 3.14 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.037 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.18 113.72 2.0 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.009 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 t -117.09 122.16 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.9 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.194 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.839 0.352 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.52 110.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . 0.428 ' ND1' ' HB3' ' P' ' 13' ' ' HIS . 61.4 t60 -119.36 130.61 55.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.267 0.556 . . . . 10.0 111.558 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.43 110.97 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.455 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -115.55 125.59 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.523 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -126.32 124.43 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.025 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.64 108.94 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.544 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.51 ' HB ' HG23 ' P' ' 18' ' ' VAL . 9.1 t -118.0 113.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.468 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.38 126.14 46.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.792 0.329 . . . . 10.0 111.236 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -117.16 120.61 38.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.32 103.65 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.406 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -120.69 118.95 31.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.048 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.53 129.43 45.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.941 0.401 . . . . 10.0 110.088 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.429 ' HA ' HG23 ' N' ' 24' ' ' VAL . 6.5 t -85.96 65.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.079 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -65.35 173.2 20.72 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.723 -0.671 . . . . 10.0 112.895 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -152.78 -52.4 0.11 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.407 . . . . 10.0 109.915 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -130.53 116.93 18.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.387 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 93.6 mttt 67.28 107.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.51 -12.27 83.81 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.333 -1.107 . . . . 10.0 110.333 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.698 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 68.45 -135.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.558 0.743 . . . . 10.0 112.67 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 38.6 mt -121.26 107.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.197 0.522 . . . . 10.0 111.439 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.528 ' HB ' HG22 ' N' ' 32' ' ' ILE . 52.2 mt -120.94 128.52 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.753 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.64 121.65 3.7 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.825 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.457 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -104.93 122.69 46.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.556 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.3 mmt -119.74 102.1 8.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.91 0.386 . . . . 10.0 110.655 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 t -101.37 111.03 29.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.136 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -115.6 111.36 2.42 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.476 -0.869 . . . . 10.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.99 118.95 3.45 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.132 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.38 125.59 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.035 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.801 0.334 . . . . 10.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.52 133.89 64.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.094 0.473 . . . . 10.0 111.376 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . 0.428 ' HB3' ' ND1' ' O' ' 13' ' ' HIS . 1.3 t-80 -128.43 118.39 23.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.112 -0.495 . . . . 10.0 109.749 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -117.72 109.89 17.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.9 126.69 55.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.981 0.42 . . . . 10.0 110.113 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -126.3 116.87 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.127 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 22.8 tp -122.67 115.35 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.086 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' O' ' 18' ' ' VAL . 13.7 p -132.45 136.31 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 10.0 111.425 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -137.8 134.32 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -119.31 115.66 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.354 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 116.0 20.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.623 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.46 148.08 49.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.911 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -158.05 172.59 18.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.41 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.78 72.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -82.69 85.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.003 -0.617 . . . . 10.0 112.551 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -48.41 81.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.276 0.56 . . . . 10.0 110.755 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -126.97 107.43 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.346 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . 0.698 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 13.8 ttmt 70.63 111.67 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.998 0.811 . . . . 10.0 112.913 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.35 3.47 62.6 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.094 -0.574 . . . . 10.0 111.942 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . 0.414 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 64.2 -170.0 0.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.268 0.627 . . . . 10.0 112.431 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 59.6 mt -99.15 109.98 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.927 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.422 HG13 HG23 ' O' ' 32' ' ' ILE . 18.1 pt -129.36 145.66 35.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 128.46 5.01 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.881 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -108.06 103.85 13.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.465 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.6 mpt? -103.13 125.93 50.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.731 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -119.81 122.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.549 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.55 102.62 0.83 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.637 -0.792 . . . . 10.0 112.199 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 113.04 2.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.772 -0.728 . . . . 10.0 112.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.42 130.7 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' O' ' 40' ' ' VAL . 1.5 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.861 ' HG3' ' HG3' ' B' ' 11' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.747 0.308 . . . . 10.0 111.074 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 39.4 t -100.19 102.53 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.181 -1.044 . . . . 10.0 108.181 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -104.4 116.26 31.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 10.0 111.772 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -124.51 80.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.99 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -103.1 125.77 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.584 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -135.57 126.32 27.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.098 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -124.26 120.08 31.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 HG13 ' B' ' 18' ' ' VAL . 11.0 p -133.15 128.81 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.417 0.627 . . . . 10.0 111.729 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.24 118.6 31.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.57 109.94 22.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.265 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.56 109.64 21.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 10.0 111.023 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.759 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 5.5 tp10 -96.92 106.19 18.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' HA ' ' OD2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -106.54 132.79 52.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.728 0.299 . . . . 10.0 111.311 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' B' ' 23' ' ' ASP . 6.7 t -125.25 29.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.801 0.81 . . . . 10.0 110.082 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -78.03 122.77 6.1 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.796 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -28.72 10.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.706 -0.29 . . . . 10.0 111.613 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -133.9 116.37 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.014 0.376 . . . . 10.0 112.014 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 60.5 mttp 61.27 95.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -19.21 79.92 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.416 -1.074 . . . . 10.0 110.416 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.96 -122.01 0.25 Allowed 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.242 0.83 . . . . 10.0 113.242 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -121.08 128.66 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 10.0 112.069 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.515 HD12 HD11 ' B' ' 32' ' ' ILE . 2.8 tt -137.61 129.63 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.496 -0.775 . . . . 10.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.99 118.18 3.72 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.918 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.3 mt -114.66 105.68 13.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.2 mpt? -110.88 111.69 23.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.995 0.426 . . . . 10.0 111.455 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.5 t -114.3 110.43 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.73 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.16 106.83 1.1 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.942 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.42 95.95 0.53 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.968 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -99.09 127.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.256 0.551 . . . . 10.0 111.075 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 ' HB ' ' B' ' 40' ' ' VAL . 26.2 m . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.861 ' HG3' ' HG3' ' A' ' 11' ' ' GLU . 1.9 pt-20 . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.965 0.412 . . . . 10.0 110.903 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.48 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 21.3 t -110.3 124.5 67.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.563 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -118.48 115.85 25.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.457 ' HD2' HG12 ' B' ' 12' ' ' VAL . 3.8 m-70 -119.29 114.94 23.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.752 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -130.88 123.43 28.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.201 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.38 122.54 33.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.363 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.441 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.9 mp -114.14 109.08 17.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.449 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' C' ' 18' ' ' VAL . 8.1 t -119.4 118.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -122.6 129.25 51.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.888 0.375 . . . . 10.0 111.324 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -108.65 119.69 40.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.689 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.09 103.58 7.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.703 0.287 . . . . 10.0 110.483 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.759 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 21.4 tt0 -101.62 122.0 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.335 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.31 146.31 42.51 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.763 0.665 . . . . 10.0 109.324 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.9 t -128.54 20.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.415 0.626 . . . . 10.0 109.806 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.648 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -67.47 85.06 0.14 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.712 -0.676 . . . . 10.0 112.789 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -32.85 72.93 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.707 0.289 . . . . 10.0 111.605 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.75 112.67 16.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 94.8 mttt 61.53 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -19.36 78.1 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 110.829 -0.909 . . . . 10.0 110.829 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.77 -108.64 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.037 0.754 . . . . 10.0 113.037 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 97.1 mt -139.44 105.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.368 0.604 . . . . 10.0 111.608 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.69 HG22 HG12 ' C' ' 32' ' ' ILE . 43.7 pt -119.33 139.3 47.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.086 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.91 136.24 7.86 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.419 -0.896 . . . . 10.0 113.498 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.1 mp -129.22 121.3 27.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -120.03 119.4 33.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.433 . . . . 10.0 111.82 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.88 114.48 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.598 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.59 109.78 1.82 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.931 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.86 116.06 3.17 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.96 -0.638 . . . . 10.0 111.614 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.92 115.19 48.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.622 ' HB ' HG12 ' A' ' 40' ' ' VAL . 61.1 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.956 0.407 . . . . 10.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.44 118.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.773 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -115.34 122.37 45.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.687 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -124.43 103.75 8.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.708 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -118.67 122.99 43.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.635 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.47 ' HD3' ' HE3' ' D' ' 16' ' ' LYS . 61.0 mtpt -130.03 127.28 39.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.201 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.11 115.88 24.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.682 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' B' ' 18' ' ' VAL . 2.5 t -126.07 115.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.077 0.465 . . . . 10.0 110.891 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -117.75 128.46 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.936 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.64 110.22 21.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.13 108.02 15.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -112.62 115.85 29.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.345 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -107.92 157.03 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.538 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.751 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.4 t -135.03 26.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.235 0.541 . . . . 10.0 109.815 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.648 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.57 77.39 0.37 Allowed Glycine 0 C--O 1.224 -0.509 0 CA-C-N 115.791 -0.64 . . . . 10.0 114.108 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.661 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 0.9 OUTLIER -54.92 -32.12 60.84 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -126.15 113.13 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.951 -0.3 . . . . 10.0 111.585 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 94.6 mttt 61.05 99.79 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.471 1.285 . . . . 10.0 114.471 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.09 -21.7 77.07 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 110.22 -1.152 . . . . 10.0 110.22 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.35 -116.85 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 113.363 0.875 . . . . 10.0 113.363 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 18.2 mt -131.73 108.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.957 0.408 . . . . 10.0 111.755 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.69 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -120.43 140.64 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.129 -0.322 . . . . 10.0 110.129 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.2 127.31 4.32 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.35 -0.929 . . . . 10.0 113.018 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.1 mp -122.23 111.41 16.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -113.68 119.5 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.185 0.517 . . . . 10.0 111.459 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 t -113.1 122.35 67.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.682 . . . . 10.0 109.625 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.67 109.46 1.24 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.952 -0.642 . . . . 10.0 112.104 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.35 114.86 3.07 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.743 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 t -114.15 114.65 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.412 ' O ' HD13 ' K' ' 31' ' ' ILE . 80.6 t . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.464 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 10.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.7 t -125.86 114.65 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.537 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -116.92 122.25 43.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 10.0 111.51 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -122.32 108.75 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.335 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -121.59 125.67 47.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.683 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.624 ' HB2' ' HG2' ' E' ' 16' ' ' LYS . 14.0 mptt -126.04 126.84 44.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 10.0 111.717 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.572 HD13 ' HB2' ' E' ' 17' ' ' LEU . 3.8 mm? -115.13 108.49 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 10.5 t -122.12 117.01 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.794 0.33 . . . . 10.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -123.85 128.38 49.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.376 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -110.62 119.87 40.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.325 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.88 101.98 6.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 10.0 110.042 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -107.92 116.99 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 2.4 t70 -112.67 161.21 17.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 10.0 109.919 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' E' ' 26' ' ' SER . 1.6 t -138.35 31.02 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.177 0.513 . . . . 10.0 109.69 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.646 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -74.4 75.19 1.21 Allowed Glycine 0 C--O 1.22 -0.761 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.36 -178.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.751 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.8 OUTLIER -54.25 -21.92 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.477 0.918 . . . . 10.0 113.477 -178.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -134.96 109.01 8.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 99.8 mttt 64.61 102.77 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.164 1.172 . . . . 10.0 114.164 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 -21.06 80.08 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.117 -0.793 . . . . 10.0 111.117 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.97 -117.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.603 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 69.7 mt -132.88 111.09 16.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.352 0.596 . . . . 10.0 112.11 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.5 pt -118.89 143.84 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.897 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.89 119.98 1.94 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.597 -0.811 . . . . 10.0 113.003 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.32 117.56 32.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.587 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 16.4 mmt -116.27 108.47 16.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.048 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -107.97 109.54 28.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.028 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -116.82 114.72 3.09 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.33 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.24 118.25 3.49 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.107 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.6 t -114.52 118.03 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.878 0.37 . . . . 10.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.43 ' O ' HD13 ' L' ' 31' ' ' ILE . 62.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.036 0.446 . . . . 10.0 110.74 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 t -107.59 99.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.59 121.44 42.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.859 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -123.62 110.58 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.01 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -129.61 122.13 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.043 0.449 . . . . 10.0 111.22 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.791 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 79.1 mttt -128.81 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.252 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.572 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.9 mp -124.15 112.35 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.754 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 14.6 t -122.04 122.34 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.411 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 10.5 m-85 -120.84 133.26 55.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.217 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -112.22 122.5 47.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.31 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.87 102.64 6.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.975 0.417 . . . . 10.0 109.972 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.54 118.65 37.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.952 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -111.46 164.04 13.38 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' F' ' 26' ' ' SER . 4.8 t -137.82 10.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 10.0 109.971 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.61 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -60.69 90.59 0.05 OUTLIER Glycine 0 C--O 1.218 -0.866 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.747 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.2 m -69.68 -6.78 33.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -149.37 118.03 6.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.911 -0.131 . . . . 10.0 111.194 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' F' ' 28' ' ' LYS . 56.2 mttt 58.74 91.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.84 -23.8 67.73 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.705 -0.958 . . . . 10.0 110.705 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.519 ' HB2' ' HG3' ' F' ' 28' ' ' LYS . . . 77.06 -129.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.752 0.821 . . . . 10.0 113.05 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 8.6 mm -114.88 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.937 0.399 . . . . 10.0 111.772 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.662 HG22 ' HB ' ' F' ' 32' ' ' ILE . 20.8 pt -130.55 131.93 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.314 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.53 132.38 6.74 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.604 -0.808 . . . . 10.0 113.074 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.76 111.72 17.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.41 ' HB2' ' SD ' ' F' ' 35' ' ' MET . 1.9 mpt? -112.38 115.56 28.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.962 0.411 . . . . 10.0 111.285 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.36 118.06 56.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.966 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.0 109.0 1.54 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.15 -0.547 . . . . 10.0 112.092 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.05 113.94 2.77 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.26 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.89 114.22 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 35.4 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.811 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.023 0.44 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -126.05 118.94 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.315 0.578 . . . . 10.0 111.006 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' F' ' 15' ' ' GLN . 35.2 t60 -113.9 123.98 51.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.352 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -124.34 108.46 12.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.906 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.423 ' HB2' ' NE2' ' F' ' 13' ' ' HIS . 47.0 tt0 -127.94 120.21 27.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.781 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.791 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 54.2 mtmt -131.97 129.17 39.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.102 0.477 . . . . 10.0 111.332 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -121.77 127.04 50.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.798 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.582 HG13 HG13 ' G' ' 18' ' ' VAL . 6.0 p -136.22 120.34 24.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.482 0.658 . . . . 10.0 111.082 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.401 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 6.9 m-85 -117.65 130.79 56.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.563 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.72 110.96 22.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.508 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.19 99.07 6.63 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -114.1 118.54 34.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.174 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.83 168.2 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 3.3 t -133.67 2.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.806 0.336 . . . . 10.0 110.527 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 103.04 0.19 Allowed Glycine 0 C--O 1.216 -0.996 0 C-N-CA 121.317 -0.468 . . . . 10.0 112.144 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 29.7 m -82.01 6.39 16.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.594 0.961 . . . . 10.0 113.594 -177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -155.25 117.72 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' E' ' 28' ' ' LYS . 46.7 tttt 54.52 96.4 0.02 OUTLIER 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.679 1.362 . . . . 10.0 114.679 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -22.35 70.5 Favored Glycine 0 C--N 1.331 0.299 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.76 -104.07 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 29.4 mt -134.88 107.96 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.116 0.484 . . . . 10.0 111.402 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' E' ' 32' ' ' ILE . 60.6 mt -126.43 127.78 70.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 10.0 109.881 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.89 135.03 7.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.807 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.458 ' HG ' HD13 ' G' ' 34' ' ' LEU . 5.7 mp -121.35 115.1 22.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.62 ' HG3' ' HA3' ' N' ' 37' ' ' GLY . 16.7 mmt -112.31 116.1 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.838 0.351 . . . . 10.0 110.501 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -116.32 112.39 39.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.015 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.663 ' HA3' ' HG3' ' N' ' 35' ' ' MET . . . -117.65 114.77 3.02 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.997 -0.62 . . . . 10.0 112.668 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 114.02 2.41 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.0 -0.619 . . . . 10.0 111.99 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 44.7 t -117.53 117.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 4.5 p . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 120.642 0.258 . . . . 10.0 111.308 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.623 0.249 . . . . 10.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.69 106.24 16.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -114.2 121.7 44.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 10.0 111.043 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -123.87 105.32 9.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.987 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' H' ' 15' ' ' GLN . 16.5 tt0 -123.51 125.62 45.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.101 0.477 . . . . 10.0 111.024 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 48.6 mtmt -131.9 133.18 44.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.773 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.09 118.82 30.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.582 HG13 HG13 ' F' ' 18' ' ' VAL . 4.4 t -125.88 124.49 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 111.346 -179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -126.33 126.41 43.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.4 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -110.57 111.01 21.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.734 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.98 103.5 8.86 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.51 115.0 20.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.705 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -124.72 125.74 44.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.444 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 3.6 t -82.71 65.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.765 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -67.25 170.07 35.03 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.377 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 5.1 m -141.38 -49.12 0.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.059 0.457 . . . . 10.0 109.903 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.23 124.13 16.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 39.9 ttmt 64.27 98.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.525 0.935 . . . . 10.0 113.525 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 -18.67 77.08 Favored Glycine 0 CA--C 1.518 0.256 0 N-CA-C 110.943 -0.863 . . . . 10.0 110.943 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.34 -120.08 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 58.6 mt -130.55 113.54 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.191 0.52 . . . . 10.0 111.967 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 42.7 mt -125.77 126.16 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 116.11 2.42 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.622 -0.799 . . . . 10.0 112.448 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.458 HD13 ' HG ' ' F' ' 34' ' ' LEU . 6.1 mp -98.8 125.94 44.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.708 -0.478 . . . . 10.0 109.708 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 20.1 mmt -122.2 113.97 20.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.813 0.339 . . . . 10.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.411 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.5 t -115.31 113.4 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.798 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.52 111.36 2.03 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.422 -0.894 . . . . 10.0 112.926 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.95 122.94 5.29 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.146 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 17.2 t -125.48 119.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.471 ' O ' HD13 ' O' ' 31' ' ' ILE . 59.6 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.211 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.645 0.259 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.53 123.68 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.381 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -127.0 127.28 44.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.936 0.398 . . . . 10.0 111.094 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -119.71 124.06 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.417 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' G' ' 15' ' ' GLN . 61.4 tt0 -141.5 124.65 16.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 10.0 111.232 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 0.0 OUTLIER -137.01 117.38 13.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.369 0.604 . . . . 10.0 111.584 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -101.09 111.0 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.564 -0.743 . . . . 10.0 110.106 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 28.8 t -121.02 124.02 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -130.03 140.95 50.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.714 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -118.41 118.52 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.102 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.34 107.18 10.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.065 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.05 137.7 54.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.26 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.03 -175.43 4.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.354 . . . . 10.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.87 56.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.381 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -76.88 81.67 1.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.905 -0.589 . . . . 10.0 112.026 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -57.61 -44.72 85.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.992 0.425 . . . . 10.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -135.61 118.78 16.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt 67.97 96.28 0.06 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.794 0.684 . . . . 10.0 111.739 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.44 6.75 35.75 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 121.237 -0.506 . . . . 10.0 112.513 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.27 -159.11 0.3 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 123.113 0.565 . . . . 10.0 111.815 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 60.1 mt -110.43 104.45 17.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.822 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 48.0 pt -121.2 151.51 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.25 111.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.705 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.1 106.97 18.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.603 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 5.5 ptp -120.33 128.05 52.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.097 0.475 . . . . 10.0 112.143 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.401 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 9.9 p -129.67 140.02 50.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.499 -0.773 . . . . 10.0 110.276 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.431 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.65 132.17 6.35 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.586 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.23 119.1 2.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.721 -0.551 . . . . 10.0 111.721 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 43.5 t -124.05 124.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.411 HG23 HG13 ' G' ' 40' ' ' VAL . 5.0 m . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.601 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.624 0.25 . . . . 10.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 t -94.48 107.86 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.007 -0.738 . . . . 10.0 109.007 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -109.98 110.43 21.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.726 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -120.9 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.317 0.58 . . . . 10.0 109.964 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.406 ' HG3' ' HB3' ' J' ' 15' ' ' GLN . 46.4 tt0 -114.67 133.11 56.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.955 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.513 ' HG3' ' HG2' ' J' ' 16' ' ' LYS . 12.2 ptpt -147.6 137.03 22.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.189 0.519 . . . . 10.0 111.676 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.22 125.11 48.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.685 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -125.47 116.49 46.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.014 0.435 . . . . 10.0 111.047 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.1 125.94 54.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.47 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.09 107.19 17.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.518 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.97 97.55 7.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.962 0.41 . . . . 10.0 110.357 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -96.85 107.89 20.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.839 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -104.86 142.56 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.89 0.376 . . . . 10.0 111.533 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.463 HG23 ' O ' ' J' ' 23' ' ' ASP . 5.7 t -129.04 31.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.872 0.844 . . . . 10.0 109.239 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -75.78 121.62 6.38 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.593 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -84.06 -45.02 13.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 10.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.07 141.44 30.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 66.8 mttm 61.1 87.05 0.1 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.546 -1.206 . . . . 10.0 113.365 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 -24.76 75.25 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 111.02 -0.832 . . . . 10.0 111.02 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.46 -137.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.5 129.31 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.13 0.491 . . . . 10.0 112.07 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tt -138.26 122.55 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.0 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.84 117.68 4.11 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.713 -0.756 . . . . 10.0 112.649 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.44 103.36 9.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.573 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.1 mpt? -111.55 117.83 34.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.238 0.542 . . . . 10.0 112.031 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -116.53 108.23 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.405 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.92 104.22 1.34 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.433 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 99.89 0.99 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.31 112.11 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.71 -179.844 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.854 0.359 . . . . 10.0 111.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -121.06 111.2 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -113.51 119.78 38.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.115 0.483 . . . . 10.0 111.576 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -123.54 112.76 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.639 -0.709 . . . . 10.0 109.772 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.406 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 25.7 tt0 -129.26 126.12 38.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.019 0.437 . . . . 10.0 111.346 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.579 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 58.0 mttt -126.22 126.23 43.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -119.16 101.52 8.06 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.141 -0.688 . . . . 10.0 109.141 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -113.72 117.52 55.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.992 0.425 . . . . 10.0 110.799 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.98 125.48 47.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.456 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.73 120.46 40.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.73 104.2 7.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.825 0.345 . . . . 10.0 110.447 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.35 124.27 48.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.177 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.463 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -117.01 148.15 41.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.863 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.9 t -129.1 19.71 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 10.0 110.11 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 84.53 0.1 Allowed Glycine 0 C--O 1.227 -0.343 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.428 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -68.36 -31.47 70.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 112.15 0.426 . . . . 10.0 112.15 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -129.09 111.91 13.44 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.083 -0.247 . . . . 10.0 111.12 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 68.1 mttt 64.74 103.62 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.116 1.154 . . . . 10.0 114.116 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.61 -20.43 76.61 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 110.78 -0.928 . . . . 10.0 110.78 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.37 -97.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 2.1 tp -152.14 102.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.514 0.673 . . . . 10.0 111.873 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.648 HG22 HG12 ' K' ' 32' ' ' ILE . 47.7 pt -115.99 140.56 37.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -139.24 132.18 5.56 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.238 -0.982 . . . . 10.0 113.548 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.1 mp -128.76 119.27 24.25 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.573 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -124.57 118.87 27.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.861 0.362 . . . . 10.0 111.223 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.538 HG23 ' HB ' ' K' ' 36' ' ' VAL . 4.1 p -118.52 118.25 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.126 0.488 . . . . 10.0 110.364 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.73 118.72 4.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.935 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 109.7 1.57 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.322 -0.711 . . . . 10.0 111.322 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.01 113.34 43.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 110.128 -0.323 . . . . 10.0 110.128 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.436 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.224 0.535 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -116.84 123.94 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.177 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' L' ' 40' ' ' VAL . 80.3 t60 -120.25 118.88 31.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -121.06 103.16 8.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.156 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -120.82 120.9 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 10.0 111.023 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . 0.579 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 40.6 mtmt -129.13 128.71 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.384 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.29 113.44 20.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.608 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 t -122.4 115.59 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.19 0.519 . . . . 10.0 110.55 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -117.4 129.99 56.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.62 115.71 30.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.95 109.29 12.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.107 0.479 . . . . 10.0 109.949 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -114.69 118.92 35.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -109.64 153.88 23.61 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.688 ' O ' ' HA ' ' L' ' 26' ' ' SER . 3.7 t -131.17 25.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.376 0.608 . . . . 10.0 109.755 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . 0.643 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -67.72 77.39 0.2 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.676 -0.693 . . . . 10.0 113.313 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . 0.67 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 2.3 m -56.35 -28.7 59.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -131.8 116.88 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.053 -0.259 . . . . 10.0 111.0 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.687 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 88.0 mttt 59.29 95.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.126 1.158 . . . . 10.0 114.126 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -22.88 73.8 Favored Glycine 0 C--N 1.33 0.247 0 N-CA-C 110.657 -0.977 . . . . 10.0 110.657 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.1 -119.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 5.6 mt -126.63 111.32 25.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.877 0.37 . . . . 10.0 111.958 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.648 HG12 HG22 ' J' ' 32' ' ' ILE . 11.8 pt -123.32 137.23 57.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -133.73 126.49 4.3 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.334 -0.936 . . . . 10.0 113.332 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.55 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -122.43 114.93 21.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -118.07 121.4 40.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 10.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.538 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -113.92 125.42 71.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.723 -0.672 . . . . 10.0 109.626 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 106.07 0.89 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 121.021 -0.609 . . . . 10.0 111.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.16 113.4 3.04 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.811 -0.709 . . . . 10.0 111.791 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.77 114.23 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.739 0.305 . . . . 10.0 110.241 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.417 ' O ' HD13 ' C' ' 31' ' ' ILE . 39.1 t . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.348 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.342 -0.244 . . . . 10.0 110.342 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.72 115.27 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -117.43 121.67 41.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.95 0.405 . . . . 10.0 111.337 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . 0.645 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 5.0 m-70 -121.15 107.86 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.267 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -121.44 125.67 47.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.52 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . 0.645 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -129.68 125.5 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.068 0.461 . . . . 10.0 111.751 -179.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.9 mm? -112.61 113.12 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.349 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.8 t -123.07 116.68 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.927 0.394 . . . . 10.0 110.523 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -123.16 125.93 46.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.851 0.358 . . . . 10.0 111.573 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.33 117.67 34.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.312 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.54 100.52 6.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 10.0 110.197 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -108.2 115.98 31.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.256 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.89 160.43 16.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.801 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 0.8 OUTLIER -138.97 32.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.913 0.387 . . . . 10.0 110.012 178.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . 0.678 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -74.42 77.43 1.05 Allowed Glycine 0 C--O 1.22 -0.777 0 CA-C-N 115.894 -0.594 . . . . 10.0 113.085 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.2 OUTLIER -52.3 -25.27 9.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.488 0.921 . . . . 10.0 113.488 -179.116 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -134.78 111.55 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.824 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.0 mttt 65.13 104.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -22.78 78.71 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.635 -0.986 . . . . 10.0 110.635 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.58 -106.02 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.154 1.168 . . . . 10.0 114.154 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.606 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 26.8 mt -142.56 110.05 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.166 0.508 . . . . 10.0 111.544 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 pt -119.9 142.78 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.112 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.26 121.81 2.39 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.791 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -118.2 118.18 31.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.433 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.6 mpt? -119.89 108.9 14.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.974 0.416 . . . . 10.0 111.192 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.45 109.09 26.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.826 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.587 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.29 114.29 3.24 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.431 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.05 120.11 4.24 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.144 -0.55 . . . . 10.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.15 121.02 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.166 0.508 . . . . 10.0 110.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -104.79 100.82 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.308 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . 0.407 ' CE1' HG21 ' N' ' 40' ' ' VAL . 4.4 t60 -102.24 121.79 42.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.941 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -122.91 108.47 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.086 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -124.92 120.0 30.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.833 0.349 . . . . 10.0 110.535 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -131.03 126.19 35.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.128 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.484 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -121.88 117.1 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.768 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 11.0 t -124.38 121.17 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.812 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -118.26 134.73 54.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.067 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -114.74 113.26 24.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.394 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.52 110.72 15.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.89 0.376 . . . . 10.0 110.176 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -117.78 123.19 45.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.056 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -112.42 163.86 13.94 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' N' ' 26' ' ' SER . 3.5 t -139.0 12.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.949 0.404 . . . . 10.0 110.215 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.678 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -61.34 97.81 0.15 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.927 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -66.78 -19.08 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.01 0.405 . . . . 10.0 112.07 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -141.91 119.94 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.716 0.294 . . . . 10.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 23.3 mttt 59.96 95.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 114.471 1.286 . . . . 10.0 114.471 178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.81 -18.58 72.51 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.568 -1.013 . . . . 10.0 110.568 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.42 -131.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 42.0 mt -117.55 113.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.153 0.502 . . . . 10.0 112.342 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.579 HG22 ' HB ' ' N' ' 32' ' ' ILE . 28.3 pt -127.3 137.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.09 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.62 134.56 7.73 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.562 -0.828 . . . . 10.0 112.849 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.16 108.9 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' N' ' 35' ' ' MET . 2.0 mpt? -111.65 117.99 34.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.053 0.454 . . . . 10.0 111.241 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 t -113.61 118.48 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.835 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.62 108.12 1.54 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.209 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.15 110.4 2.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.25 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -113.6 117.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.382 0.134 . . . . 10.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -125.07 117.95 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 10.0 111.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . 0.669 ' HE1' HG21 ' O' ' 40' ' ' VAL . 21.9 t60 -114.3 120.26 39.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.566 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.19 108.65 14.48 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . 0.46 ' HB2' ' NE2' ' N' ' 13' ' ' HIS . 35.3 tt0 -127.43 119.05 25.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.93 0.395 . . . . 10.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -132.65 130.25 39.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.497 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -123.94 117.61 25.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.685 -0.688 . . . . 10.0 109.973 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.65 119.35 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.565 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -120.28 124.22 45.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.25 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -105.48 114.73 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.432 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.83 105.61 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . 0.48 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 42.5 tt0 -122.62 121.81 37.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.617 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -116.62 162.26 17.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' O' ' 24' ' ' VAL . 2.7 t -127.47 4.64 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.69 0.281 . . . . 10.0 110.966 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 105.93 0.48 Allowed Glycine 0 C--O 1.215 -1.045 0 N-CA-C 111.507 -0.637 . . . . 10.0 111.507 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 1.3 m -83.1 11.79 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 -177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -165.63 124.31 1.63 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 21.9 tptm 60.47 87.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 124.054 0.846 . . . . 10.0 113.09 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -23.45 68.58 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.594 -0.812 . . . . 10.0 111.131 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.58 -108.09 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 18.5 mt -135.28 107.06 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.987 0.422 . . . . 10.0 111.443 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.579 ' HB ' HG22 ' M' ' 32' ' ' ILE . 56.8 mt -124.5 127.88 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.07 134.61 7.81 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.889 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.504 ' HG ' HD13 ' O' ' 34' ' ' LEU . 5.8 mp -120.14 115.92 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.773 -0.454 . . . . 10.0 109.773 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.663 ' HG3' ' HA3' ' F' ' 37' ' ' GLY . 19.5 mmt -113.3 114.5 26.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 10.0 110.39 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 t -114.96 110.91 33.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.069 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.62 ' HA3' ' HG3' ' F' ' 35' ' ' MET . . . -116.02 116.56 3.67 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.667 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.69 114.53 2.36 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.217 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 50.9 t -116.18 118.28 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 2.9 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.194 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' P' ' 12' ' ' VAL . 16.9 t -131.05 109.37 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.921 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -113.91 123.12 48.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.57 100.89 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.257 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -116.02 118.34 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 10.0 110.783 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -127.62 126.54 42.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.44 121.38 38.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.974 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.4 t -128.97 129.22 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.549 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.67 130.88 49.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -113.58 104.83 12.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.222 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.17 105.99 12.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' N' ' 22' ' ' GLU . 57.2 tt0 -130.03 120.59 24.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.09 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -127.12 129.34 47.75 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.452 ' HA ' ' CG2' ' N' ' 24' ' ' VAL . 3.6 t -86.94 63.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.36 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -67.22 167.04 40.39 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.6 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -134.16 -44.8 0.78 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.146 0.498 . . . . 10.0 109.774 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' P' ' 27' ' ' ASN . 7.3 t30 -144.99 122.95 12.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.755 -0.657 . . . . 10.0 111.06 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.697 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 35.8 ttmt 66.09 104.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.54 -13.91 83.02 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.798 -0.921 . . . . 10.0 110.798 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.51 -118.13 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 18.7 mt -131.85 113.25 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.232 0.539 . . . . 10.0 111.654 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mt -122.94 130.33 74.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.048 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.51 112.34 1.25 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.504 HD13 ' HG ' ' N' ' 34' ' ' LEU . 5.8 mp -96.1 123.63 39.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -120.68 112.08 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.703 0.287 . . . . 10.0 110.834 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -114.84 111.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.47 107.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.611 -0.804 . . . . 10.0 112.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 125.19 6.33 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.458 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 22.5 t -126.83 121.6 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.669 HG21 ' HE1' ' N' ' 13' ' ' HIS . 3.2 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.919 0.39 . . . . 10.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' O' ' 12' ' ' VAL . 9.5 p -128.15 125.15 63.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -119.45 124.73 47.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.13 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -120.05 112.83 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.085 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -122.25 124.19 43.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.92 111.16 13.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.18 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.72 114.98 28.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.119 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.7 p -137.63 132.07 44.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 10.0 111.239 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.19 137.32 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.712 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -114.83 120.61 40.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.466 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 112.97 10.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.023 0.439 . . . . 10.0 111.031 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -128.63 144.19 51.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -141.7 -176.06 4.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.928 0.394 . . . . 10.0 110.312 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.19 54.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.95 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . 0.534 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -75.98 83.9 0.93 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.888 -0.596 . . . . 10.0 112.374 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.85 -49.51 73.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.896 0.379 . . . . 10.0 111.599 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' O' ' 27' ' ' ASN . 7.4 t30 -131.66 115.15 15.67 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.243 -0.286 . . . . 10.0 111.579 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . 0.431 ' HG2' ' H ' ' P' ' 30' ' ' ALA . 24.7 ttmt 67.43 98.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.074 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.78 11.59 33.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.135 -0.555 . . . . 10.0 112.135 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.431 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 61.48 -158.78 0.33 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.227 0.611 . . . . 10.0 111.786 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 3.0 mp -102.65 108.56 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.311 -0.625 . . . . 10.0 109.311 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tt -122.82 131.33 73.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.448 . . . . 10.0 111.071 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.8 135.93 9.15 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.895 -0.669 . . . . 10.0 111.946 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -115.01 106.02 13.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.431 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.4 mpt? -100.31 114.53 28.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.922 0.391 . . . . 10.0 111.584 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -116.77 126.95 74.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.426 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . 0.603 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -134.69 135.37 7.91 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.373 -0.918 . . . . 10.0 112.515 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.17 112.77 0.73 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.075 -0.583 . . . . 10.0 111.766 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 42.6 t -119.59 122.46 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.688 0.28 . . . . 10.0 110.326 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.964 -0.541 . . . . 10.0 111.126 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 18.2 t -115.64 89.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.588 ' HE1' HG11 ' B' ' 40' ' ' VAL . 44.1 t60 -102.51 109.95 21.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.1 0.476 . . . . 10.0 111.849 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.4 ' HD2' HG12 ' A' ' 12' ' ' VAL . 46.4 m-70 -120.7 106.36 11.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.336 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -119.02 130.68 55.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.835 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HG2' ' B' ' 16' ' ' LYS . 56.6 mttm -131.32 123.28 27.96 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.102 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -130.86 120.48 23.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.419 ' CG1' HG12 ' B' ' 18' ' ' VAL . 14.3 p -146.81 128.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.597 0.713 . . . . 10.0 111.909 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -111.83 127.69 55.89 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.767 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -104.49 90.99 3.7 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.38 94.74 5.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.298 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -99.23 118.75 36.62 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.128 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -112.56 155.69 23.92 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.016 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 23' ' ' ASP . 3.8 t -122.16 39.01 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.716 -0.846 . . . . 10.0 108.716 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -72.86 85.45 0.56 Allowed Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.597 -0.729 . . . . 10.0 112.47 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -34.76 72.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.722 0.296 . . . . 10.0 111.54 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -130.38 112.88 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.8 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 65.3 mttp 61.75 103.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.27 1.211 . . . . 10.0 114.27 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -23.01 74.58 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 110.259 -1.137 . . . . 10.0 110.259 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.73 -129.56 0.08 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HB ' HG12 ' B' ' 31' ' ' ILE . 23.7 mt -109.09 133.28 54.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.165 0.507 . . . . 10.0 111.862 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tt -141.04 139.67 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.805 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -133.68 107.81 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.492 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.5 102.87 10.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.467 -0.568 . . . . 10.0 109.467 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.493 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.1 mpt? -110.49 95.45 5.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.615 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.71 95.24 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.35 112.41 4.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.743 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.91 109.87 2.2 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG21 ' HA3' ' I' ' 33' ' ' GLY . 13.5 t -116.21 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.904 0.383 . . . . 10.0 110.034 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.647 179.482 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.674 0.273 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.61 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 9.3 t -104.82 109.55 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.427 ' CE1' HG11 ' C' ' 40' ' ' VAL . 46.7 t60 -114.04 116.46 29.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.654 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -123.98 115.11 20.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.129 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -129.34 120.32 25.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.194 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 61.5 mtpt -124.71 123.54 40.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.338 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.468 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -118.48 111.13 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.541 HG23 HG13 ' C' ' 18' ' ' VAL . 2.3 m -121.53 115.82 47.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 10.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -116.3 128.12 55.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.814 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -108.28 123.82 49.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.816 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.79 106.92 8.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.851 0.358 . . . . 10.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -103.27 124.97 49.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -116.0 154.76 29.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.779 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.734 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.8 t -135.11 20.42 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.446 0.641 . . . . 10.0 109.301 178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.624 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -67.89 83.39 0.16 Allowed Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.61 -0.723 . . . . 10.0 113.254 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -69.11 -23.04 63.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.528 0.204 . . . . 10.0 111.266 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -133.75 107.25 7.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.659 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 96.7 mttt 63.95 108.38 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 114.391 1.256 . . . . 10.0 114.391 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.07 -13.86 82.9 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.641 -0.984 . . . . 10.0 110.641 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.68 -105.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.091 0.774 . . . . 10.0 113.091 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 84.1 mt -143.54 101.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 10.0 110.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.734 HG22 HG12 ' C' ' 32' ' ' ILE . 49.5 pt -115.05 137.86 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.694 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.32 134.89 7.28 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.349 -0.929 . . . . 10.0 113.471 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.551 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.6 mp -132.44 114.36 14.23 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.493 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 2.0 mpt? -113.39 126.29 55.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.352 0.596 . . . . 10.0 111.693 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.26 126.62 74.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.653 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.11 99.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.971 -0.633 . . . . 10.0 111.75 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.92 108.93 2.48 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.842 -0.694 . . . . 10.0 111.73 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.41 HG21 ' HA3' ' J' ' 33' ' ' GLY . 21.1 t -116.37 117.82 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.878 0.37 . . . . 10.0 110.524 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.588 HG11 ' HE1' ' A' ' 13' ' ' HIS . 58.7 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.705 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.17 114.82 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.54 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -118.85 118.7 32.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.466 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -123.3 110.62 15.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.244 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -119.0 119.38 34.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.06 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -124.34 122.73 38.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.001 0.429 . . . . 10.0 111.701 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.25 117.89 31.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.541 HG13 HG23 ' B' ' 18' ' ' VAL . 2.6 t -125.69 116.59 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.41 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -121.88 129.44 52.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.67 0.272 . . . . 10.0 111.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -112.55 121.12 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.442 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.1 108.02 10.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 10.0 110.061 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -112.31 120.22 40.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.019 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.9 OUTLIER -115.72 158.09 23.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.715 ' O ' ' HA ' ' D' ' 26' ' ' SER . 2.6 t -134.62 25.18 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.069 0.462 . . . . 10.0 109.939 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -70.86 83.45 0.39 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 116.131 -0.486 . . . . 10.0 113.479 -178.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.734 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 2.3 m -63.67 -16.09 60.08 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -137.84 112.48 8.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.684 -0.235 . . . . 10.0 111.397 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.715 ' O ' ' HA ' ' D' ' 28' ' ' LYS . 99.0 mttt 59.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.42 -19.34 70.6 Favored Glycine 0 CA--C 1.52 0.345 0 N-CA-C 110.996 -0.842 . . . . 10.0 110.996 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.62 -128.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 123.433 0.693 . . . . 10.0 112.489 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 3.1 mt -124.51 107.42 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.171 0.51 . . . . 10.0 111.704 -178.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.734 HG12 HG22 ' B' ' 32' ' ' ILE . 19.3 pt -118.45 137.79 51.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.076 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.3 126.88 4.71 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.346 -0.93 . . . . 10.0 113.199 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.551 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -121.74 116.35 24.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.724 ' HG3' ' HA3' ' K' ' 37' ' ' GLY . 14.6 mmt -114.27 121.65 44.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.945 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.2 111.07 33.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.454 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.47 114.83 3.25 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.202 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 111.56 1.71 Allowed Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -115.25 119.55 62.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 10.0 110.545 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' B' ' 40' ' ' VAL . 64.4 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' E' ' 11' ' ' GLU . 26.8 mt-10 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.673 0.273 . . . . 10.0 110.764 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -122.07 107.07 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -110.69 119.78 40.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.8 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.59 111.48 17.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.212 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -122.55 121.43 36.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.497 ' HB2' ' HG3' ' E' ' 16' ' ' LYS . 43.5 mttp -129.38 124.38 34.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.155 0.502 . . . . 10.0 111.456 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -113.33 117.78 32.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.841 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 3.7 t -123.57 117.83 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.795 0.331 . . . . 10.0 110.51 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -123.82 126.46 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 10.0 111.555 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -108.07 117.82 35.15 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.414 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.78 110.57 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -119.36 120.46 36.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.445 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -116.37 159.37 22.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.45 10.03 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.184 0.516 . . . . 10.0 111.157 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.413 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -63.05 101.07 0.39 Allowed Glycine 0 C--O 1.219 -0.784 0 C-N-CA 121.093 -0.575 . . . . 10.0 112.661 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.715 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 1.5 m -74.91 -5.79 45.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -143.47 112.27 6.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.924 -0.31 . . . . 10.0 111.75 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.715 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 97.7 mttt 62.02 101.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.439 1.274 . . . . 10.0 114.439 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.16 76.63 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.495 -1.042 . . . . 10.0 110.495 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.87 -112.14 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 123.753 0.821 . . . . 10.0 113.193 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.599 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 52.9 mt -137.88 107.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 10.0 111.806 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.441 HG12 ' HB ' ' C' ' 32' ' ' ILE . 4.2 pt -115.2 143.13 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.946 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.23 110.51 0.78 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.364 -0.922 . . . . 10.0 113.261 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -106.08 117.43 34.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.592 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.8 mmt -116.24 111.16 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.036 0.446 . . . . 10.0 111.052 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.4 t -107.84 119.46 57.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.686 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.22 106.13 0.84 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.883 -0.675 . . . . 10.0 112.263 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.42 115.71 3.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.945 -0.645 . . . . 10.0 111.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.56 120.3 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 10.0 110.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.205 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.537 ' HB2' ' HG2' ' D' ' 11' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.871 0.367 . . . . 10.0 110.243 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.74 110.01 30.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.181 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -113.33 120.44 41.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.969 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -120.65 107.43 12.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.797 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -118.03 124.81 49.04 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.0 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.497 ' HG3' ' HB2' ' D' ' 16' ' ' LYS . 67.8 tttt -138.06 126.51 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.853 0.358 . . . . 10.0 110.859 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' F' ' 17' ' ' LEU . 5.7 mp -123.67 122.47 38.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.05 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' F' ' 18' ' ' VAL . 9.1 t -126.62 122.08 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.196 -0.457 . . . . 10.0 110.372 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.456 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -118.5 133.53 55.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.52 110.8 20.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.25 99.03 6.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -110.66 118.87 37.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.595 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -116.43 162.04 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.721 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.49 39.03 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' F' ' 26' ' ' SER . . . -61.12 179.75 3.12 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.649 -0.705 . . . . 10.0 114.12 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -152.58 -38.27 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.545 -0.327 . . . . 10.0 110.248 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -138.2 116.84 12.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.749 0.309 . . . . 10.0 111.768 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 77.3 mttt 61.07 99.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.55 74.26 Favored Glycine 0 C--N 1.33 0.202 0 N-CA-C 109.976 -1.25 . . . . 10.0 109.976 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' F' ' 28' ' ' LYS . . . 77.38 -121.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 113.511 0.93 . . . . 10.0 113.511 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.48 HD13 ' HB ' ' D' ' 31' ' ' ILE . 6.8 mm -122.94 111.83 31.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.732 0.301 . . . . 10.0 111.702 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.31 130.77 70.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.827 0.346 . . . . 10.0 110.343 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.0 128.28 5.98 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.57 -0.824 . . . . 10.0 112.98 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.8 115.43 23.84 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.46 112.13 21.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.045 0.45 . . . . 10.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.3 110.69 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.947 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.17 110.34 2.16 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.058 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.02 114.24 2.56 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.727 -0.749 . . . . 10.0 111.926 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 19.7 t -116.02 114.34 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.66 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' G' ' 12' ' ' VAL . 4.3 p -134.13 109.52 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.418 0.627 . . . . 10.0 110.734 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.438 ' HE2' ' HB2' ' F' ' 15' ' ' GLN . 64.5 t60 -117.8 125.99 51.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.221 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.28 107.05 11.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.876 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.438 ' HB2' ' HE2' ' F' ' 13' ' ' HIS . 45.8 tt0 -114.3 121.02 42.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.546 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' HG2' ' G' ' 16' ' ' LYS . 91.8 mttt -127.03 121.83 32.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.816 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' E' ' 17' ' ' LEU . 5.1 mp -121.68 118.56 29.44 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.545 HG13 HG13 ' G' ' 18' ' ' VAL . 6.6 p -132.17 123.51 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.305 0.574 . . . . 10.0 111.382 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 7.5 m-85 -119.54 130.02 54.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -107.61 117.01 32.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.268 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.55 103.98 8.16 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.77 -0.455 . . . . 10.0 109.77 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -120.05 122.47 41.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.349 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -121.32 167.18 13.04 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' G' ' 24' ' ' VAL . 2.3 t -129.99 15.01 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 10.0 110.223 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -59.87 120.42 22.68 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 121.201 -0.524 . . . . 10.0 111.872 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.446 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.1 m -97.75 -9.82 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -148.81 127.08 12.15 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.973 -0.455 . . . . 10.0 111.999 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 17.2 tptm 57.72 89.74 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 O-C-N 124.155 0.909 . . . . 10.0 112.963 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.18 -20.45 67.2 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.532 -0.842 . . . . 10.0 111.518 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.739 0.815 . . . . 10.0 113.038 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 21.2 mt -135.21 110.61 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.089 0.471 . . . . 10.0 111.44 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -124.6 130.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.217 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.85 129.3 6.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.741 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.56 106.99 12.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.425 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.9 mpt? -109.91 117.83 34.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.093 0.473 . . . . 10.0 111.606 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -115.33 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.764 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.35 111.34 1.95 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.003 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.19 114.31 2.56 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.674 -0.774 . . . . 10.0 111.991 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.58 127.55 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 6.5 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 111.278 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.451 ' HA ' HG13 ' F' ' 12' ' ' VAL . 3.4 t -107.91 110.18 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.58 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -121.87 114.78 21.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.774 0.321 . . . . 10.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.402 ' HD2' HG12 ' G' ' 12' ' ' VAL . 35.2 m-70 -118.78 113.53 21.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.114 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -124.45 120.41 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.553 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 49.5 mtmt -129.18 125.52 37.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 10.0 111.591 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.43 121.11 40.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.8 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.545 HG13 HG13 ' F' ' 18' ' ' VAL . 5.2 t -126.58 117.98 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.569 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.28 125.47 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.726 0.298 . . . . 10.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -107.88 115.33 29.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.676 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.74 113.37 18.5 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -133.52 116.19 15.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 10.0 111.645 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -125.11 137.77 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' F' ' 24' ' ' VAL . 2.6 t -93.25 61.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.014 0.435 . . . . 10.0 110.309 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -63.79 172.09 15.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.028 -0.606 . . . . 10.0 113.114 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -149.12 -51.29 0.15 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.291 0.567 . . . . 10.0 109.777 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -139.39 120.61 14.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.619 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.631 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 29.0 ttmt 66.47 99.57 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.994 0.809 . . . . 10.0 112.743 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.79 -14.77 79.76 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.16 -132.58 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.671 0.788 . . . . 10.0 112.655 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' H' ' 31' ' ' ILE . 41.4 mt -122.67 107.28 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.04 0.447 . . . . 10.0 111.473 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 54.2 mt -120.54 126.29 75.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.237 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.34 122.8 4.91 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.341 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -107.93 121.0 43.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.568 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 20.0 mmt -118.45 109.05 15.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.91 0.386 . . . . 10.0 111.047 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.456 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 12.6 t -107.48 110.58 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.139 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.444 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -116.44 111.0 2.25 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.3 118.26 3.48 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.087 -0.577 . . . . 10.0 111.721 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -122.72 118.95 56.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.715 0.293 . . . . 10.0 110.43 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 42.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.457 0.17 . . . . 10.0 110.724 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -134.42 96.38 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -102.15 130.28 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.827 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -129.7 99.76 5.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.794 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -119.56 123.61 44.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 4.5 ptmt -138.0 131.17 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.021 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -121.42 118.74 30.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.369 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 84.5 t -124.97 123.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.775 0.321 . . . . 10.0 110.539 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -123.54 137.02 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -112.85 107.66 16.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.098 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.22 114.3 27.41 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -131.21 133.36 45.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.577 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -151.22 174.65 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' G' ' 24' ' ' VAL . 11.0 t -138.09 72.11 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.453 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -91.04 81.43 1.3 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.029 -0.605 . . . . 10.0 111.953 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -56.58 -48.96 76.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 10.0 110.994 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -126.07 107.41 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' G' ' 28' ' ' LYS . 32.1 ttpt 66.55 97.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.644 -0.707 . . . . 10.0 112.301 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.35 2.98 42.9 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.888 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.57 -164.97 0.19 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.121 0.568 . . . . 10.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 63.7 mt -95.39 113.58 30.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.064 0.459 . . . . 10.0 110.668 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 mt -118.15 132.94 66.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.762 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.444 ' HA3' HG21 ' P' ' 39' ' ' VAL . . . -132.15 111.65 1.07 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.564 -0.827 . . . . 10.0 112.493 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 73.7 mt -105.92 107.04 17.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.913 0.387 . . . . 10.0 110.056 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.568 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.1 mpt? -110.83 119.42 39.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.956 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.446 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 7.4 p -120.25 128.06 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.075 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.434 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -127.85 122.8 4.25 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.785 -0.721 . . . . 10.0 112.369 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.87 117.67 2.53 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.255 -0.738 . . . . 10.0 111.255 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.92 116.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.709 -0.662 . . . . 10.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.656 0.265 . . . . 10.0 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.474 HG12 ' HD2' ' I' ' 14' ' ' HIS . 23.1 t -104.6 112.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.482 ' HE1' HG11 ' J' ' 40' ' ' VAL . 49.7 t60 -114.71 116.02 28.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 10.0 111.287 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.474 ' HD2' HG12 ' I' ' 12' ' ' VAL . 60.0 m-70 -127.51 106.83 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -133.92 130.45 37.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.263 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -144.01 130.41 19.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.124 0.488 . . . . 10.0 111.783 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.429 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.3 mp -120.39 121.36 38.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.391 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -128.19 126.65 66.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.911 0.386 . . . . 10.0 111.104 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -115.09 124.42 51.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.976 -0.557 . . . . 10.0 109.645 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -103.63 95.44 6.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.71 0.29 . . . . 10.0 110.869 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.05 95.31 7.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.296 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.76 96.16 9.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.766 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.8 146.63 26.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.752 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.492 HG23 ' O ' ' J' ' 23' ' ' ASP . 3.4 t -127.11 36.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.717 0.77 . . . . 10.0 109.535 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.64 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -74.04 91.66 0.72 Allowed Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.972 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -147.56 130.29 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.385 0.612 . . . . 10.0 112.649 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 97.8 mttt 65.86 93.0 0.07 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.577 -1.192 . . . . 10.0 113.721 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.14 -27.83 63.39 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.102 -0.799 . . . . 10.0 111.102 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.78 -133.5 0.07 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.3 mm -98.74 140.8 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.074 0.464 . . . . 10.0 111.68 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -151.91 139.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.977 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.46 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -135.26 113.87 1.17 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.822 -0.704 . . . . 10.0 112.224 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -117.82 99.54 6.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.585 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.0 mpt? -106.79 104.3 13.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.088 0.471 . . . . 10.0 111.819 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.418 ' HA ' HG13 ' J' ' 36' ' ' VAL . 32.6 t -103.87 99.69 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.509 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 113.88 4.81 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.679 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.73 95.8 0.69 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.723 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.58 HG21 ' HA3' ' A' ' 33' ' ' GLY . 21.3 t -105.0 96.91 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.147 0.499 . . . . 10.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.618 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' K' ' 11' ' ' GLU . 11.9 tt0 . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.61 109.07 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.162 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -110.1 118.69 37.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -124.64 111.48 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -124.86 122.26 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 10.0 110.722 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.522 ' HB2' ' HG2' ' K' ' 16' ' ' LYS . 91.7 mttt -121.73 125.25 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.7 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.429 HD13 ' HG ' ' I' ' 17' ' ' LEU . 5.5 mp -122.68 114.21 20.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.414 HG23 HG13 ' K' ' 18' ' ' VAL . 0.0 OUTLIER -127.58 116.55 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.137 0.494 . . . . 10.0 111.304 -179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -117.22 123.03 45.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.725 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.36 123.25 47.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.786 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.25 107.86 9.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.968 0.414 . . . . 10.0 110.69 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -104.17 126.3 51.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.413 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -119.74 150.55 40.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.689 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' K' ' 26' ' ' SER . 3.4 t -132.37 25.44 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.64 ' O ' ' HA2' ' I' ' 25' ' ' GLY . . . -69.82 83.21 0.3 Allowed Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.905 -0.589 . . . . 10.0 113.049 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -37.48 80.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.319 . . . . 10.0 111.634 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -125.45 114.04 18.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.976 0.361 . . . . 10.0 111.976 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 84.2 mttt 63.72 108.21 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.2 -16.6 79.44 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.52 -95.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.79 0.836 . . . . 10.0 112.809 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.1 tt -160.44 102.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.905 0.859 . . . . 10.0 112.295 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.623 HG22 HG12 ' K' ' 32' ' ' ILE . 41.0 pt -113.18 141.41 28.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.764 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' K' ' 33' ' ' GLY . . . -136.11 130.15 5.19 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 10.0 113.092 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.2 mp -128.01 116.45 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.585 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.5 mpt? -121.86 120.22 33.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.011 0.434 . . . . 10.0 111.447 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.6 p -121.04 124.48 72.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.011 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.33 109.21 1.46 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.108 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.62 110.15 2.88 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.256 -0.738 . . . . 10.0 111.256 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 23.9 t -114.17 112.87 41.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.962 0.41 . . . . 10.0 110.024 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.495 HG22 ' HB ' ' K' ' 40' ' ' VAL . 58.3 t . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.447 ' HB3' ' HG3' ' J' ' 11' ' ' GLU . 46.5 tt0 . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.15 109.54 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -113.53 118.58 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.767 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -125.55 110.84 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.318 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -122.88 126.17 46.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.68 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . 0.522 ' HG2' ' HB2' ' J' ' 16' ' ' LYS . 53.7 mtmt -128.72 127.74 42.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 10.0 111.695 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.84 110.6 16.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.493 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.414 HG13 HG23 ' J' ' 18' ' ' VAL . 2.6 t -121.05 117.61 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.661 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.53 129.36 52.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.081 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -111.86 114.73 27.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.373 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.73 113.05 17.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.743 0.306 . . . . 10.0 110.205 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -117.55 126.86 53.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.261 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.9 OUTLIER -120.02 156.36 31.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.945 -0.761 . . . . 10.0 108.945 179.32 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' L' ' 26' ' ' SER . 2.5 t -133.36 24.97 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . 0.563 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -70.87 85.88 0.37 Allowed Glycine 0 C--O 1.219 -0.786 0 CA-C-N 116.026 -0.533 . . . . 10.0 113.407 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . 0.758 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 4.4 m -63.77 -15.02 57.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -138.97 112.99 8.58 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.699 -0.4 . . . . 10.0 111.47 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' L' ' 28' ' ' LYS . 90.1 mttt 57.82 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 113.961 1.097 . . . . 10.0 113.961 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.03 -20.16 64.4 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.16 -127.74 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 113.058 0.762 . . . . 10.0 113.058 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 11.7 mt -122.35 104.59 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.926 0.393 . . . . 10.0 111.825 -177.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.623 HG12 HG22 ' J' ' 32' ' ' ILE . 14.1 pt -117.36 137.43 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' J' ' 33' ' ' GLY . . . -132.44 127.94 5.03 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.302 -0.951 . . . . 10.0 113.28 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.548 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 5.8 mp -123.57 118.14 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.58 123.52 45.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.983 0.42 . . . . 10.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' J' ' 36' ' ' VAL . 3.8 t -118.34 115.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.954 -0.566 . . . . 10.0 109.786 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . 0.724 ' HA3' ' HG3' ' C' ' 35' ' ' MET . . . -116.24 110.63 2.21 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.04 111.35 2.27 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.724 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.67 117.91 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.831 0.348 . . . . 10.0 110.536 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.495 ' HB ' HG22 ' J' ' 40' ' ' VAL . 54.7 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.126 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.038 0.447 . . . . 10.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.84 111.57 34.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.542 . . . . 10.0 109.777 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -114.98 118.85 34.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 10.0 111.119 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -121.3 104.01 9.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.427 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.4 126.61 54.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.567 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' M' ' 16' ' ' LYS . 5.9 mttt -131.98 126.84 34.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 10.0 111.644 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -115.61 114.05 24.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 10.0 109.229 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 4.4 t -120.73 117.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.795 0.331 . . . . 10.0 110.298 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.41 128.5 49.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.852 0.358 . . . . 10.0 111.571 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -110.29 123.62 50.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.039 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.07 108.12 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.873 0.368 . . . . 10.0 110.144 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -114.07 119.92 38.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.467 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -113.55 154.75 26.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.701 -1.222 . . . . 10.0 107.701 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.85 11.08 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.126 0.488 . . . . 10.0 111.506 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -63.96 104.34 0.86 Allowed Glycine 0 C--O 1.216 -1.004 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.214 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . 0.693 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 2.4 m -80.08 -0.15 34.48 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.207 0.817 . . . . 10.0 113.207 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -148.27 111.89 5.04 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 122.2 -0.313 . . . . 10.0 111.515 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.679 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.1 mttt 61.41 97.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 114.111 1.152 . . . . 10.0 114.111 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.31 -20.22 73.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.648 -0.981 . . . . 10.0 110.648 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.87 -114.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 33.7 mt -135.57 112.97 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.522 . . . . 10.0 111.976 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 pt -121.59 142.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.43 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.55 119.22 2.14 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.799 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' HB2' ' M' ' 34' ' ' LEU . 7.9 mp -117.75 112.77 20.88 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.495 -0.557 . . . . 10.0 109.495 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.28 112.55 22.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.154 0.502 . . . . 10.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.26 116.19 50.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.351 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.592 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -120.11 107.38 1.31 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.768 -0.729 . . . . 10.0 112.332 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.08 119.31 4.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.83 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 t -120.34 124.92 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 11.1 p . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.547 -0.297 . . . . 10.0 111.286 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 10.0 111.38 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -109.45 104.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . 0.428 ' HE1' HG21 ' N' ' 40' ' ' VAL . 21.6 t60 -110.81 123.74 50.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 111.543 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -124.61 110.34 14.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.076 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -122.36 117.51 26.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . 0.482 ' HG2' ' HB2' ' L' ' 16' ' ' LYS . 48.3 mtpt -128.18 122.11 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 10.0 111.086 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.0 117.25 27.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 8.6 t -124.71 122.93 64.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.981 0.419 . . . . 10.0 111.183 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.448 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 8.1 m-85 -116.86 131.79 56.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.226 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.18 104.89 12.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.169 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.9 105.67 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.99 121.92 42.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.154 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -118.64 159.65 23.23 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -130.2 37.08 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.09 0.471 . . . . 10.0 109.85 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -58.9 174.23 3.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.606 -0.724 . . . . 10.0 113.94 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -145.16 -40.71 0.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.791 0.329 . . . . 10.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.11 122.71 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.1 tppp? 61.41 96.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.02 -21.29 73.46 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.022 -0.831 . . . . 10.0 111.022 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 78.29 -120.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 113.252 0.834 . . . . 10.0 113.252 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.4 mt -131.77 113.22 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 10.0 111.733 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.404 HG22 HG13 ' N' ' 32' ' ' ILE . 20.0 pt -123.01 141.62 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.085 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.9 127.47 4.43 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.454 -0.879 . . . . 10.0 113.095 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.406 ' HB2' ' HG ' ' L' ' 34' ' ' LEU . 6.4 mp -122.34 113.18 19.04 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -115.84 113.23 23.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.069 0.461 . . . . 10.0 111.334 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.46 112.66 41.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.09 109.54 2.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.774 -0.726 . . . . 10.0 112.194 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.98 114.35 2.79 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 23.1 t -116.77 117.62 56.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 2.4 p . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.305 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' O' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.988 0.423 . . . . 10.0 112.06 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -120.34 118.74 57.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.699 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -120.05 123.58 43.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.654 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.56 105.81 10.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.64 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -114.74 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.336 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.26 122.12 28.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.309 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.57 119.65 34.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.921 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 46.8 t -125.78 121.8 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.545 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.65 126.22 48.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.792 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.87 122.59 46.7 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.581 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.97 102.93 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -118.43 120.92 39.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.396 -0.366 . . . . 10.0 110.994 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -119.83 166.71 12.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.504 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 t -128.91 10.07 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.295 0.569 . . . . 10.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 124.87 37.08 Favored Glycine 0 C--O 1.22 -0.781 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.937 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . 0.565 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 0.8 OUTLIER -103.97 -12.79 16.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.148 0.499 . . . . 10.0 111.995 -178.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -143.05 125.03 15.2 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.727 -0.608 . . . . 10.0 111.527 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 0.1 OUTLIER 57.85 93.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.957 0.786 . . . . 10.0 112.872 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.68 -15.61 66.73 Favored Glycine 0 C--N 1.331 0.251 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.75 -117.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.826 0.85 . . . . 10.0 113.119 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 33.9 mt -136.35 109.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.989 0.423 . . . . 10.0 111.36 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.775 HG22 ' HB ' ' O' ' 32' ' ' ILE . 1.2 pt -126.8 131.34 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.87 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.97 131.63 7.82 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.658 -0.782 . . . . 10.0 113.019 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.59 105.82 12.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -108.76 117.52 34.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.063 0.459 . . . . 10.0 111.412 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.41 118.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.662 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.425 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -121.92 111.06 1.74 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.104 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.55 114.97 2.79 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.98 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 t -118.06 121.63 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.536 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' N' ' 11' ' ' GLU . 17.2 tt0 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.868 0.366 . . . . 10.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.37 116.73 47.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.705 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . 0.571 ' HE1' HG21 ' P' ' 40' ' ' VAL . 24.6 t60 -119.49 118.79 32.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.492 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . 0.691 ' HB2' ' HD2' ' P' ' 14' ' ' HIS . 90.7 m-70 -120.54 113.61 20.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.484 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . 0.422 ' HG3' ' HB3' ' P' ' 15' ' ' GLN . 14.2 tt0 -121.19 119.19 31.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.14 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.01 118.56 24.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 111.723 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -116.28 119.61 36.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.886 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 4.1 t -127.86 125.27 64.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.848 0.356 . . . . 10.0 110.861 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -123.37 128.72 50.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -110.7 110.03 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.57 111.79 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 10.0 110.068 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' P' ' 22' ' ' GLU . 27.2 tt0 -130.89 127.06 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.842 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -136.2 137.42 40.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.846 0.355 . . . . 10.0 110.076 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -90.34 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.151 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -66.17 171.6 27.68 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.982 -0.627 . . . . 10.0 112.566 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 46.2 m -152.51 -48.2 0.1 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.098 0.475 . . . . 10.0 110.136 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.63 118.37 11.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.242 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.6 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 96.1 mttt 67.18 100.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.388 0.884 . . . . 10.0 113.388 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.54 -9.05 81.85 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.592 -1.003 . . . . 10.0 110.592 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.86 -141.79 0.06 Allowed 'General case' 0 C--N 1.334 -0.071 0 C-N-CA 123.551 0.74 . . . . 10.0 112.393 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' P' ' 31' ' ' ILE . 29.6 mt -116.61 108.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.024 0.44 . . . . 10.0 111.358 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.775 ' HB ' HG22 ' N' ' 32' ' ' ILE . 63.6 mt -122.1 129.41 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.055 -0.521 . . . . 10.0 109.871 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.62 121.04 4.22 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.716 -0.754 . . . . 10.0 112.607 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -104.45 119.13 38.26 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 19.7 mmt -117.38 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.726 0.298 . . . . 10.0 110.774 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.448 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 6.7 t -107.69 107.4 22.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . 0.532 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -114.21 111.81 2.68 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.29 118.83 3.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.197 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.53 123.67 67.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.2 p . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.587 -0.278 . . . . 10.0 111.049 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.9 119.64 41.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.258 0.551 . . . . 10.0 110.696 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -115.16 127.88 55.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.643 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . 0.691 ' HD2' ' HB2' ' O' ' 14' ' ' HIS . 24.4 m170 -121.68 104.21 9.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.764 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . 0.422 ' HB3' ' HG3' ' O' ' 15' ' ' GLN . 48.2 tt0 -111.51 114.88 28.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.104 0.478 . . . . 10.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -116.48 130.91 57.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.984 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' P' ' 17' ' ' LEU . 7.5 tp -138.89 108.94 6.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.263 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 12.3 p -127.02 134.29 66.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.774 0.321 . . . . 10.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -130.05 144.69 51.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -120.96 111.74 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.99 118.17 27.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.469 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' O' ' 22' ' ' GLU . 0.1 OUTLIER -141.89 142.39 33.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.208 179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -149.88 176.44 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 t -129.05 70.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . 0.435 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -91.39 75.5 1.52 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.918 -0.583 . . . . 10.0 112.166 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -57.3 -47.42 81.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 10.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -123.14 108.61 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.317 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt 67.3 96.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.61 -0.723 . . . . 10.0 111.741 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.36 -1.27 50.51 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 121.08 -0.581 . . . . 10.0 112.436 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.33 -174.28 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.611 0.764 . . . . 10.0 112.4 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 63.1 mt -87.61 113.51 25.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.205 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 46.5 mt -120.41 131.85 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.29 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.26 121.46 3.53 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 89.6 mt -117.49 104.56 11.2 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.443 ' HG3' ' HB2' ' O' ' 35' ' ' MET . 1.9 mpt? -104.79 119.09 38.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 10.0 111.153 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -109.11 125.36 66.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.845 -0.616 . . . . 10.0 109.624 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.41 112.24 1.75 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.681 -0.771 . . . . 10.0 111.939 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.15 115.3 2.15 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.256 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.444 HG21 ' HA3' ' H' ' 33' ' ' GLY . 26.6 t -126.86 133.96 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.571 HG21 ' HE1' ' O' ' 13' ' ' HIS . 14.9 p . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.107 -0.949 . . . . 10.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.383 -0.228 . . . . 10.0 110.383 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 23.1 t -96.45 119.97 45.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -121.34 105.8 10.87 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -114.87 96.08 5.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.403 . . . . 10.0 110.091 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -118.95 116.02 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -131.52 127.77 37.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.948 0.404 . . . . 10.0 111.667 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -122.64 118.91 29.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.672 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -128.25 120.04 52.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.836 0.351 . . . . 10.0 110.947 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -114.56 124.3 51.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.55 99.86 11.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.889 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.7 97.76 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.97 0.415 . . . . 10.0 110.955 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.774 ' HB3' ' HA ' ' B' ' 22' ' ' GLU . 8.2 tp10 -81.21 147.53 29.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.1 OUTLIER -143.19 128.36 18.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.31 . . . . 10.0 111.553 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 23' ' ' ASP . 4.1 t -127.24 25.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.614 0.721 . . . . 10.0 109.361 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -71.35 104.96 1.53 Allowed Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.546 -0.752 . . . . 10.0 112.741 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.91 -30.79 45.03 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 111.7 0.259 . . . . 10.0 111.7 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -141.77 119.62 11.9 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 63.1 mttp 61.23 101.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 114.841 1.422 . . . . 10.0 114.841 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -25.68 66.23 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.353 -1.099 . . . . 10.0 110.353 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.01 -130.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.296 0 N-CA-C 113.877 1.066 . . . . 10.0 113.877 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.01 129.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.228 0.537 . . . . 10.0 112.19 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tt -136.68 134.18 48.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.011 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.559 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -128.78 105.73 0.72 Allowed Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.945 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -107.99 97.94 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.532 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.5 mpt? -105.79 113.55 27.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.055 0.455 . . . . 10.0 112.052 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 132.87 59.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.919 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.62 0.25 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.047 -0.597 . . . . 10.0 111.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.46 85.92 0.81 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.579 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 ' HA3' ' I' ' 33' ' ' GLY . 7.2 t -90.28 101.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.554 -0.536 . . . . 10.0 109.554 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.907 -179.712 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.64 0.257 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.418 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 33.8 t -111.56 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.085 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -115.19 116.24 28.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.819 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -122.14 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.174 -0.466 . . . . 10.0 109.874 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -127.77 116.85 20.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.035 0.445 . . . . 10.0 110.413 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -124.86 118.61 26.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.878 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.85 118.78 37.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.593 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.6 t -127.26 118.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.58 132.55 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.995 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -111.25 114.25 27.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.88 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.6 104.06 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.141 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.774 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 4.2 tt0 -99.75 117.66 34.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.53 144.24 38.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 123.433 0.458 . . . . 10.0 110.522 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.666 ' O ' ' HA ' ' C' ' 26' ' ' SER . 8.1 t -131.16 24.42 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.501 0.667 . . . . 10.0 109.362 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.691 ' HA2' ' O ' ' C' ' 25' ' ' GLY . . . -69.52 77.04 0.37 Allowed Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.631 -0.713 . . . . 10.0 113.271 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -59.92 -38.86 83.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.04 103.48 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.923 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.72 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 95.2 mttt 63.91 105.54 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.819 1.414 . . . . 10.0 114.819 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.98 -19.6 79.76 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 110.711 -0.956 . . . . 10.0 110.711 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -102.09 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.683 0.793 . . . . 10.0 112.826 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 81.4 mt -139.98 104.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.105 0.478 . . . . 10.0 111.236 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.73 HG22 HG12 ' C' ' 32' ' ' ILE . 44.8 pt -116.79 131.34 69.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.222 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.73 134.42 7.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.218 -0.991 . . . . 10.0 113.498 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 5.8 mp -131.19 122.54 26.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.5 mpt? -120.75 118.55 30.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.071 0.462 . . . . 10.0 111.226 -179.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.57 103.3 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.068 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.89 114.23 4.13 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 114.04 1.96 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.832 -0.699 . . . . 10.0 111.803 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 t -113.68 107.79 23.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.732 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.635 ' HG3' ' HB3' ' D' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.193 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.45 110.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.635 -0.257 . . . . 10.0 110.757 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -113.94 120.71 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.629 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -126.81 105.44 8.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.595 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.429 ' HG3' ' HB3' ' D' ' 15' ' ' GLN . 19.3 tt0 -118.34 125.55 50.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.958 0.408 . . . . 10.0 110.775 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.54 ' HB2' ' HG3' ' D' ' 16' ' ' LYS . 45.7 mtpt -127.47 123.57 36.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.941 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -119.31 110.97 17.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.806 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 5.8 t -123.52 118.15 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.493 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -121.16 128.06 52.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.232 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -107.59 122.05 45.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.321 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 104.97 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.42 118.45 36.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -109.28 155.09 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.338 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.3 t -134.7 26.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.311 0.577 . . . . 10.0 109.789 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.691 ' O ' ' HA2' ' B' ' 25' ' ' GLY . . . -69.06 75.11 0.34 Allowed Glycine 0 C--O 1.225 -0.431 0 CA-C-N 115.691 -0.686 . . . . 10.0 113.99 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.666 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 13.9 m -58.1 -23.53 55.15 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -129.69 99.69 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.661 -0.245 . . . . 10.0 111.22 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.72 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.0 mttt 65.64 107.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 114.887 1.439 . . . . 10.0 114.887 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.31 -21.08 79.4 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 110.13 -1.188 . . . . 10.0 110.13 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.35 -113.26 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 113.664 0.987 . . . . 10.0 113.664 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.571 ' O ' ' HA ' ' D' ' 31' ' ' ILE . 25.6 mt -133.91 105.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.057 0.456 . . . . 10.0 111.414 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.73 HG12 HG22 ' B' ' 32' ' ' ILE . 15.7 pt -117.21 139.51 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.368 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.86 122.55 3.06 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.433 -0.889 . . . . 10.0 112.84 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.451 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.2 mp -118.46 110.58 17.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.241 -0.652 . . . . 10.0 109.241 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.87 120.6 42.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.306 0.574 . . . . 10.0 111.701 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -112.19 124.44 68.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.266 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.71 105.96 0.77 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.004 -0.617 . . . . 10.0 112.114 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.11 115.19 3.18 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.783 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.69 117.2 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.591 179.784 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.635 ' HB3' ' HG3' ' C' ' 11' ' ' GLU . 7.8 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.934 0.397 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' D' ' 14' ' ' HIS . 4.6 t -114.42 114.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.311 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.427 ' CE1' HG21 ' E' ' 40' ' ' VAL . 76.4 t60 -114.65 119.5 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.226 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.44 ' HD2' HG12 ' D' ' 12' ' ' VAL . 14.4 m-70 -121.05 110.96 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.384 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.429 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 19.7 tt0 -122.6 120.22 33.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.242 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' C' ' 16' ' ' LYS . 1.5 mptt -126.17 122.6 36.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.193 0.52 . . . . 10.0 111.627 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.38 114.92 25.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.47 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 2.8 t -127.56 119.72 52.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.898 0.38 . . . . 10.0 110.782 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -122.89 133.04 54.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -115.66 112.83 22.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.64 108.13 13.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.821 0.343 . . . . 10.0 110.189 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -111.51 124.28 51.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.126 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.4 OUTLIER -116.36 162.32 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.696 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.0 t -140.73 29.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 108.736 -0.838 . . . . 10.0 108.736 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.659 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -73.1 77.92 0.82 Allowed Glycine 0 C--O 1.218 -0.848 0 CA-C-N 115.913 -0.585 . . . . 10.0 113.887 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 0.3 OUTLIER -54.56 -25.0 23.44 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -134.62 111.55 10.11 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.117 0.414 . . . . 10.0 112.117 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 96.4 mttt 62.44 100.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.6 77.69 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.444 -1.062 . . . . 10.0 110.444 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -128.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.552 0.741 . . . . 10.0 112.899 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' E' ' 31' ' ' ILE . 65.7 mt -121.27 117.46 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.448 0.642 . . . . 10.0 112.167 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.461 HG22 HG12 ' E' ' 32' ' ' ILE . 16.4 pt -124.64 140.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.054 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.97 120.53 2.81 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.485 -0.864 . . . . 10.0 112.985 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.94 115.32 28.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.262 -0.644 . . . . 10.0 109.262 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.528 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 17.5 mmt -116.16 109.23 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 10.0 110.995 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.32 109.75 29.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.942 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.92 115.15 3.19 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.033 -0.603 . . . . 10.0 112.366 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.66 118.26 3.15 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.958 -0.639 . . . . 10.0 111.688 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 t -115.71 119.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.68 0.276 . . . . 10.0 110.337 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.383 179.711 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.146 0.498 . . . . 10.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.402 HG12 ' HD2' ' E' ' 14' ' ' HIS . 14.0 t -114.01 117.92 56.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.474 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -113.57 122.35 46.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.714 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.402 ' HD2' HG12 ' E' ' 12' ' ' VAL . 5.0 m-70 -123.07 105.63 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.947 0.403 . . . . 10.0 110.591 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -115.9 120.14 38.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.419 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.627 ' HB2' ' HG2' ' F' ' 16' ' ' LYS . 91.0 mttt -127.88 124.32 37.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.03 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.85 113.99 19.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.256 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 19.3 t -123.55 126.02 72.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.665 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.527 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 8.0 m-85 -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.96 115.43 29.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.63 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.68 102.31 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.994 0.426 . . . . 10.0 110.151 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -111.69 117.81 33.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.42 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -111.74 166.81 10.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.948 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -132.51 2.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.483 . . . . 10.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' F' ' 25' ' ' GLY . . . -54.42 109.61 1.27 Allowed Glycine 0 C--O 1.215 -1.042 0 CA-C-N 115.836 -0.62 . . . . 10.0 112.001 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.547 ' HA ' ' HA2' ' D' ' 25' ' ' GLY . 1.2 m -96.71 -10.64 26.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -139.38 110.17 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.877 0.37 . . . . 10.0 111.832 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 32.9 tttt 61.24 94.07 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 114.161 1.171 . . . . 10.0 114.161 178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.4 -21.37 72.32 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 110.92 -0.872 . . . . 10.0 110.92 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.73 -104.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.869 1.062 . . . . 10.0 113.869 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' D' ' 31' ' ' ILE . 9.9 mm -137.27 117.04 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.8 0.333 . . . . 10.0 111.569 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.461 HG12 HG22 ' D' ' 32' ' ' ILE . 5.4 pt -127.6 139.37 52.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.15 123.88 3.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.29 -0.957 . . . . 10.0 113.519 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 80.8 mt -116.46 112.77 21.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.437 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -116.71 111.5 19.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.061 0.458 . . . . 10.0 111.872 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.17 118.32 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.552 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.41 106.36 1.04 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.193 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.94 117.6 3.98 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.82 -0.705 . . . . 10.0 111.761 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -120.48 122.15 67.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' F' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.896 0.379 . . . . 10.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.78 128.19 16.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.27 0.557 . . . . 10.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -122.57 123.44 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -119.95 107.01 12.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.466 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -119.47 112.56 19.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.0 0.429 . . . . 10.0 109.982 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.627 ' HG2' ' HB2' ' E' ' 16' ' ' LYS . 48.0 mtmt -125.51 114.1 18.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.203 0.525 . . . . 10.0 111.782 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.41 129.74 55.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.711 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.543 HG13 HG13 ' G' ' 18' ' ' VAL . 9.6 p -140.22 123.09 16.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.294 0.569 . . . . 10.0 111.351 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.4 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 5.5 m-85 -116.9 135.95 53.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.483 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -114.71 110.47 19.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.89 117.99 30.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -131.7 122.71 26.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.017 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -121.29 173.24 7.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' G' ' 25' ' ' GLY . 2.6 t -137.41 10.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.754 0.312 . . . . 10.0 110.414 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -61.51 89.73 0.05 OUTLIER Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.439 -0.41 . . . . 10.0 112.793 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.421 ' HA ' ' HA2' ' E' ' 25' ' ' GLY . 1.0 OUTLIER -68.42 -15.24 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -137.46 122.01 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 20.2 tptm 62.43 89.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.22 71.21 Favored Glycine 0 N--CA 1.459 0.228 0 C-N-CA 120.672 -0.775 . . . . 10.0 111.548 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.29 -119.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 123.585 0.754 . . . . 10.0 112.786 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 56.7 mt -134.2 107.31 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 10.0 111.752 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.567 HG22 HG12 ' G' ' 32' ' ' ILE . 47.1 pt -121.35 138.27 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.495 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 134.7 7.22 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.403 -0.903 . . . . 10.0 112.828 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.468 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -124.09 110.84 15.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.437 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 1.9 mpt? -110.04 116.31 31.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.138 0.494 . . . . 10.0 110.976 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -112.13 113.6 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.773 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.5 3.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 10.0 112.029 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.3 110.95 1.41 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.85 -0.69 . . . . 10.0 112.22 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -114.37 121.44 66.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' E' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.687 0.28 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.7 t -110.45 107.29 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -113.58 120.37 40.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -125.81 109.36 12.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.467 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -122.55 122.41 38.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.628 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' H' ' 16' ' ' LYS . 44.2 mtmt -128.13 123.74 35.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.097 0.475 . . . . 10.0 111.646 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.71 119.83 36.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.996 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' H' ' 18' ' ' VAL . 9.4 t -127.3 123.66 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.525 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.0 131.06 53.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.01 115.03 28.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.407 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.67 104.75 8.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -129.07 122.9 30.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.23 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -131.39 154.72 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.33 66.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.707 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' H' ' 26' ' ' SER . . . -69.21 174.64 33.74 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.081 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -155.7 -47.34 0.08 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -137.39 114.88 11.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.222 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 82.7 mttt 69.6 106.06 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.941 0.775 . . . . 10.0 113.075 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.38 -8.57 86.1 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.419 -1.073 . . . . 10.0 110.419 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 71.13 -142.52 0.06 Allowed 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.478 0.711 . . . . 10.0 111.926 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.839 ' HB ' HG12 ' H' ' 31' ' ' ILE . 70.0 mt -122.07 103.21 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.102 0.477 . . . . 10.0 111.52 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.593 HG22 HG12 ' H' ' 32' ' ' ILE . 41.1 pt -118.46 136.22 56.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.504 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.18 129.79 6.42 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.402 -0.904 . . . . 10.0 112.934 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 7.1 mp -106.26 124.42 49.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.508 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 21.5 mmt -120.54 109.43 15.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.527 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 15.2 t -108.96 108.88 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.726 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.47 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -113.05 104.88 1.6 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.711 -0.756 . . . . 10.0 112.693 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.42 121.58 5.09 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.909 -0.662 . . . . 10.0 111.951 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.31 123.43 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 92.0 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.527 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.732 0.301 . . . . 10.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.72 116.95 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.696 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -111.89 106.91 15.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -111.54 116.44 30.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -138.79 130.02 26.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.908 0.385 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' G' ' 16' ' ' LYS . 9.5 ptmt -137.32 139.58 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.877 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 118.36 23.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.817 179.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' G' ' 18' ' ' VAL . 59.2 t -128.32 123.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.631 -0.259 . . . . 10.0 110.324 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.18 141.49 51.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 10.0 110.94 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.79 118.41 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.089 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.15 103.21 8.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.954 -0.567 . . . . 10.0 109.602 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.04 137.89 54.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.584 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.23 -172.84 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.179 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.13 54.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.163 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.94 76.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.922 -0.581 . . . . 10.0 112.45 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' G' ' 25' ' ' GLY . 16.3 m -62.79 -31.89 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -123.18 104.12 8.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.658 0.266 . . . . 10.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.614 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 37.3 ttpt 64.18 98.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.43 -0.804 . . . . 10.0 112.129 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.36 4.42 41.71 Favored Glycine 0 CA--C 1.519 0.285 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.72 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.39 -172.59 0.18 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.149 0.579 . . . . 10.0 112.441 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.839 HG12 ' HB ' ' G' ' 31' ' ' ILE . 74.2 mt -105.89 105.01 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.829 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.593 HG12 HG22 ' G' ' 32' ' ' ILE . 46.7 pt -126.79 158.3 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.115 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.36 110.41 0.8 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.447 -0.882 . . . . 10.0 113.257 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.21 99.92 12.3 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.502 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 9.8 ptp -114.95 131.31 56.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.205 0.526 . . . . 10.0 112.153 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.4 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 14.1 p -131.92 140.6 47.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.88 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.63 132.98 6.41 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 10.0 112.2 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.86 116.22 1.11 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.397 -0.681 . . . . 10.0 111.397 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.92 122.65 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 2.3 m . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.297 -0.858 . . . . 10.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -94.17 113.06 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.593 ' HE1' HG11 ' J' ' 40' ' ' VAL . 36.6 t60 -114.72 103.67 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.165 0.507 . . . . 10.0 112.044 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.89 97.57 6.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.464 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -131.39 120.02 22.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.927 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.51 ' HD2' ' HE2' ' J' ' 16' ' ' LYS . 16.8 ptpt -141.43 137.64 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.09 0.471 . . . . 10.0 111.558 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.21 126.04 50.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 t -123.57 115.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.35 111.03 20.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -87.59 110.61 20.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.788 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.04 99.63 8.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.833 0.349 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.835 ' HB3' ' HA ' ' J' ' 22' ' ' GLU . 9.3 tp10 -87.0 143.93 27.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 10.0 109.222 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.541 ' HA ' ' OD1' ' J' ' 23' ' ' ASP . 0.0 OUTLIER -147.8 134.4 19.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.749 0.309 . . . . 10.0 111.22 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.784 ' CG2' ' HA ' ' J' ' 24' ' ' VAL . 18.1 m -134.42 32.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.515 0.674 . . . . 10.0 110.147 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' J' ' 26' ' ' SER . . . -72.43 108.42 2.49 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.225 -0.898 . . . . 10.0 112.075 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -67.96 -39.49 83.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.577 0.227 . . . . 10.0 110.969 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -151.52 138.37 18.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.072 0.767 . . . . 10.0 113.072 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 74.3 mttt 63.34 86.08 0.12 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-N 114.197 -1.365 . . . . 10.0 113.86 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.61 -26.2 73.55 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.42 -149.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 5.4 mt -84.58 138.31 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -144.66 136.3 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.439 -0.801 . . . . 10.0 109.872 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.573 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -128.5 111.68 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.51 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -114.47 100.3 8.2 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.252 -0.648 . . . . 10.0 109.252 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.652 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.2 mpt? -106.82 118.29 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 10.0 111.623 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 t -114.12 119.62 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.784 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.64 84.59 0.35 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.808 -0.71 . . . . 10.0 111.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.96 73.85 0.71 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.217 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.559 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.6 t -75.87 96.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.501 . . . . 10.0 110.406 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' J' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.73 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 . . . . . 0 C--O 1.235 0.32 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.93 113.68 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.438 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.465 ' CE1' HG11 ' K' ' 40' ' ' VAL . 52.0 t60 -113.17 116.85 30.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.688 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.82 109.1 13.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -128.6 121.24 28.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.96 0.41 . . . . 10.0 110.928 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.51 ' HE2' ' HD2' ' I' ' 16' ' ' LYS . 95.4 mttt -125.53 123.64 39.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.47 109.98 18.01 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.444 -0.576 . . . . 10.0 109.444 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 t -121.51 117.09 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.933 0.397 . . . . 10.0 110.793 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -118.46 132.63 56.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -110.33 117.75 34.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.899 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.61 105.44 9.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.842 0.354 . . . . 10.0 110.294 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.835 ' HA ' ' HB3' ' I' ' 22' ' ' GLU . 13.3 tt0 -102.49 117.76 35.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.612 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.541 ' OD1' ' HA ' ' I' ' 23' ' ' ASP . 0.0 OUTLIER -107.69 144.27 35.01 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.581 0.551 . . . . 10.0 110.989 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.784 ' HA ' ' CG2' ' I' ' 24' ' ' VAL . 17.5 t -125.85 18.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 10.0 110.186 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.623 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -66.46 80.31 0.11 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.774 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.535 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 1.7 m -68.25 -22.25 64.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -140.98 114.66 8.92 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.347 -0.221 . . . . 10.0 111.079 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 23.4 mmtp 63.64 95.52 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.97 -18.19 77.54 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.671 -0.972 . . . . 10.0 110.671 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.74 -86.6 0.03 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.863 0.865 . . . . 10.0 112.947 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 15.3 tt -165.6 104.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.898 0.856 . . . . 10.0 112.198 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.661 HG22 HG12 ' K' ' 32' ' ' ILE . 46.8 pt -113.38 138.68 42.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.469 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.04 130.8 5.88 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.383 -0.913 . . . . 10.0 113.212 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 5.8 mp -129.04 118.88 23.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.077 -0.712 . . . . 10.0 109.077 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.652 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.2 mpt? -123.71 115.54 21.58 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.964 0.411 . . . . 10.0 111.2 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 p -113.78 114.58 47.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.29 0.567 . . . . 10.0 110.803 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 122.73 5.65 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.71 106.66 0.81 Allowed Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.439 -0.664 . . . . 10.0 111.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 20.9 t -101.92 104.29 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.593 HG11 ' HE1' ' I' ' 13' ' ' HIS . 59.1 t . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.748 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' L' ' 11' ' ' GLU . 11.9 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.75 0.309 . . . . 10.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.07 113.12 41.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.026 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -111.73 115.46 29.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -121.04 102.13 8.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.545 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -117.52 123.84 47.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.317 -0.402 . . . . 10.0 110.927 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -127.15 126.54 43.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.198 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -120.32 111.73 18.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.577 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.15 116.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 10.0 110.624 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -120.76 129.84 53.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.076 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -109.05 117.98 35.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.213 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.33 103.79 7.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.021 0.438 . . . . 10.0 110.066 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.84 120.12 40.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.997 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.73 154.94 24.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' L' ' 26' ' ' SER . 4.3 t -134.59 25.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.164 0.507 . . . . 10.0 109.702 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . 0.653 ' HA2' ' O ' ' L' ' 25' ' ' GLY . . . -69.99 75.74 0.46 Allowed Glycine 0 C--O 1.223 -0.571 0 CA-C-N 115.91 -0.586 . . . . 10.0 113.46 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . 0.7 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 10.0 m -56.18 -32.06 64.0 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -126.49 107.73 10.52 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.484 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 89.6 mttt 64.49 100.27 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 114.648 1.351 . . . . 10.0 114.648 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.73 -23.12 78.43 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 110.339 -1.104 . . . . 10.0 110.339 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.32 -119.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 12.9 mt -128.14 104.73 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.661 HG12 HG22 ' J' ' 32' ' ' ILE . 11.9 pt -116.18 140.15 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 121.019 -0.272 . . . . 10.0 110.362 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.38 122.48 3.12 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.343 -0.932 . . . . 10.0 113.022 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.454 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.2 mp -119.25 111.48 18.27 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.86 123.21 48.6 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.268 0.556 . . . . 10.0 111.601 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . . . . . . . . . 5.9 t -114.55 123.85 70.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.328 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.04 105.77 0.82 Allowed Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 121.006 -0.616 . . . . 10.0 112.211 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.37 113.92 2.93 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.949 -0.643 . . . . 10.0 111.66 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 16.2 t -112.78 117.56 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 10.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.465 HG11 ' CE1' ' J' ' 13' ' ' HIS . 24.0 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . 0.416 ' HB2' ' HG2' ' K' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.708 0.29 . . . . 10.0 110.987 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.53 107.19 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -110.18 117.52 33.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.935 0.397 . . . . 10.0 111.502 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . 0.453 ' HB3' ' HE3' ' L' ' 16' ' ' LYS . 7.9 m-70 -120.98 106.63 11.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.039 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -120.34 120.47 36.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.364 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . 0.453 ' HE3' ' HB3' ' L' ' 14' ' ' HIS . 0.0 OUTLIER -126.48 122.61 35.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 10.0 111.183 -179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -114.56 114.35 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.363 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 3.1 t -126.02 119.39 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.876 0.369 . . . . 10.0 110.942 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -121.9 130.89 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.709 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -113.95 112.03 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.757 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.58 111.75 18.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.886 0.374 . . . . 10.0 110.066 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.0 121.9 44.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.043 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' L' ' 25' ' ' GLY . 0.6 OUTLIER -114.91 161.96 17.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.857 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.1 t -139.75 30.37 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . 0.653 ' O ' ' HA2' ' K' ' 25' ' ' GLY . . . -73.65 79.41 0.83 Allowed Glycine 0 C--O 1.22 -0.747 0 CA-C-N 115.959 -0.564 . . . . 10.0 113.974 -177.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 0.7 OUTLIER -53.11 -31.25 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -132.84 116.55 16.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.434 0.531 . . . . 10.0 112.434 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 83.5 mttt 62.27 96.75 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -24.72 76.69 Favored Glycine 0 C--N 1.331 0.256 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 77.52 -122.72 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.555 0.946 . . . . 10.0 113.555 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' K' ' 31' ' ' ILE . 38.5 mt -126.75 115.09 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.369 0.604 . . . . 10.0 112.228 -177.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.492 HG22 HG12 ' M' ' 32' ' ' ILE . 22.5 pt -123.17 138.58 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.995 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.12 123.7 4.51 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.53 -0.843 . . . . 10.0 112.83 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.0 115.63 24.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.19 108.63 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.17 0.509 . . . . 10.0 111.325 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 t -106.74 108.31 24.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.821 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.528 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -114.09 113.81 3.15 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.585 -0.817 . . . . 10.0 112.368 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.15 120.44 4.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.046 -0.597 . . . . 10.0 111.743 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 t -119.42 124.65 73.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 7.4 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.069 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.083 0.468 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -111.88 113.83 45.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.478 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -111.48 118.93 37.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.589 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -119.49 104.37 10.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.78 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -113.43 118.88 35.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . 0.434 ' HD2' ' HE2' ' N' ' 16' ' ' LYS . 88.1 mttt -128.95 117.46 21.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.549 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -117.89 118.42 31.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.327 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' L' ' 18' ' ' VAL . 41.2 t -127.03 124.15 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.637 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.432 ' HZ ' HG21 ' O' ' 36' ' ' VAL . 7.6 m-85 -119.79 130.46 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.992 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -108.24 116.66 32.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.149 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.6 100.12 6.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.889 0.376 . . . . 10.0 110.127 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.09 119.38 39.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.956 -0.566 . . . . 10.0 110.736 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -115.73 164.65 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.852 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' N' ' 24' ' ' VAL . 3.5 t -131.7 5.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.029 0.442 . . . . 10.0 110.333 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' N' ' 26' ' ' SER . . . -53.63 106.82 0.5 Allowed Glycine 0 C--O 1.213 -1.164 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.504 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . 0.531 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 0.9 OUTLIER -87.58 -22.1 24.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.326 0.491 . . . . 10.0 112.326 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.82 120.3 17.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' N' ' 28' ' ' LYS . 0.5 OUTLIER 61.82 90.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.188 -0.915 . . . . 10.0 113.204 178.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.6 -24.06 72.4 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 111.142 -0.783 . . . . 10.0 111.142 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.793 ' HB2' ' HD2' ' N' ' 28' ' ' LYS . . . 76.62 -115.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 3.7 mp -133.56 119.06 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 10.0 112.003 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.492 HG12 HG22 ' L' ' 32' ' ' ILE . 7.4 pt -127.01 144.0 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.883 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.14 125.02 3.73 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.427 -0.892 . . . . 10.0 112.99 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -117.59 108.56 15.62 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.36 113.88 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.027 0.442 . . . . 10.0 111.923 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 t -111.0 118.99 58.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.0 106.97 1.12 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.72 -0.752 . . . . 10.0 112.276 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.2 116.09 3.62 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.91 -0.662 . . . . 10.0 111.735 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.65 119.32 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.194 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.578 0.227 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.81 124.82 59.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.304 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . 0.452 ' CE1' HG21 ' O' ' 40' ' ' VAL . 60.3 t60 -124.88 120.25 31.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.386 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.62 109.77 16.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -120.75 113.63 20.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . 0.434 ' HE2' ' HD2' ' M' ' 16' ' ' LYS . 39.6 mttt -127.09 120.75 29.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.289 0.566 . . . . 10.0 111.991 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.25 125.29 50.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.747 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -131.01 122.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.438 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HG21 ' P' ' 36' ' ' VAL . 8.7 m-85 -119.85 130.02 54.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.1 112.57 24.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.099 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.46 110.91 16.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -127.64 123.64 36.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.416 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.45 172.62 7.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.3 t -136.89 10.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 10.0 110.672 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -61.01 90.59 0.05 OUTLIER Glycine 0 C--O 1.22 -0.75 0 C-N-CA 121.31 -0.472 . . . . 10.0 112.839 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA2' ' M' ' 25' ' ' GLY . 1.0 OUTLIER -71.51 -4.16 25.18 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -146.63 118.45 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.991 -0.443 . . . . 10.0 111.981 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.793 ' HD2' ' HB2' ' M' ' 30' ' ' ALA . 7.6 tptp 62.8 91.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.32 -19.79 72.76 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.621 -0.8 . . . . 10.0 111.388 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.23 -113.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.123 0.786 . . . . 10.0 113.123 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.705 ' HB ' HG12 ' O' ' 31' ' ' ILE . 52.2 mt -140.19 107.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.951 0.405 . . . . 10.0 111.485 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -123.55 136.52 59.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.703 0.287 . . . . 10.0 110.6 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 135.85 8.3 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.556 -0.831 . . . . 10.0 112.775 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.2 mp -124.05 110.71 15.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -109.97 115.68 30.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 10.0 110.958 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -111.45 113.63 44.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.985 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.61 114.77 3.44 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.013 -0.613 . . . . 10.0 111.845 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.41 110.01 1.35 Allowed Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.193 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.54 123.26 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' M' ' 40' ' ' VAL . 3.5 p . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.014 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.797 0.332 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t -120.41 101.75 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -104.42 122.55 45.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.297 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -128.33 111.27 13.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.054 0.454 . . . . 10.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -121.43 119.04 30.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.373 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -124.48 118.77 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.524 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.92 119.54 35.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.132 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' P' ' 18' ' ' VAL . 13.9 t -129.41 125.22 61.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -123.54 132.17 53.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.598 -0.274 . . . . 10.0 110.954 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -111.15 114.72 28.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.488 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.17 105.97 9.23 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -130.66 125.75 34.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.342 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -136.22 138.57 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.571 HG23 ' HA ' ' P' ' 24' ' ' VAL . 0.0 OUTLIER -92.97 63.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.925 0.393 . . . . 10.0 111.499 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' N' ' 24' ' ' VAL . . . -65.1 174.38 16.3 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.032 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 31.1 m -150.65 -44.62 0.12 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.239 0.542 . . . . 10.0 109.959 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.097 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.56 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 81.6 mttt 68.7 101.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.141 0.793 . . . . 10.0 113.141 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.77 -9.83 86.36 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 110.554 -1.018 . . . . 10.0 110.554 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.548 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 70.77 -140.89 0.06 Allowed 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 123.317 0.647 . . . . 10.0 112.096 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.705 HG12 ' HB ' ' N' ' 31' ' ' ILE . 79.0 mt -120.58 107.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.484 0.659 . . . . 10.0 111.863 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.652 HG23 HG23 ' P' ' 32' ' ' ILE . 22.4 mt -116.39 133.31 63.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.252 -0.886 . . . . 10.0 109.629 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.43 119.49 3.08 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.424 -0.893 . . . . 10.0 112.494 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.487 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -101.92 122.27 43.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.47 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.6 mmt -119.59 107.42 13.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.669 0.271 . . . . 10.0 110.701 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.432 HG21 ' HZ ' ' M' ' 19' ' ' PHE . 12.1 t -106.91 108.4 25.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . 0.508 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -110.5 102.26 1.49 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.691 -0.766 . . . . 10.0 112.508 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.66 117.29 3.91 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.087 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' P' ' 39' ' ' VAL . 12.7 t -122.15 121.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.4 p . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.593 0.235 . . . . 10.0 111.216 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 110.348 -0.242 . . . . 10.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.1 138.74 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.089 0.471 . . . . 10.0 110.734 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -127.49 104.01 7.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.66 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -107.73 98.49 8.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.52 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -111.3 130.56 55.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.826 0.346 . . . . 10.0 110.557 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -129.86 127.93 41.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.922 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 14.6 tp -132.84 121.43 22.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.125 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' O' ' 18' ' ' VAL . 14.9 p -141.85 136.87 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.063 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -136.34 141.71 43.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.778 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -116.07 120.94 40.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.79 110.32 10.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.987 0.422 . . . . 10.0 111.147 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -126.92 148.77 50.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.68 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.7 -174.31 4.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.571 ' HA ' HG23 ' O' ' 24' ' ' VAL . 3.1 m -139.47 47.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.942 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . 0.425 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -78.96 70.88 2.68 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.784 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -39.35 73.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 10.0 110.972 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -126.9 109.43 11.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.064 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . 0.548 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 9.6 ttmt 65.83 99.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.986 0.803 . . . . 10.0 112.597 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.52 0.19 61.18 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.294 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.75 -171.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.349 0.66 . . . . 10.0 112.657 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.498 HD12 ' HB ' ' O' ' 31' ' ' ILE . 13.9 mm -92.17 111.96 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.652 HG23 HG23 ' O' ' 32' ' ' ILE . 5.7 tt -134.37 137.32 51.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.022 0.439 . . . . 10.0 110.917 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.99 130.16 7.04 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.506 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.42 102.56 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -98.45 118.82 35.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.898 0.38 . . . . 10.0 111.863 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . 0.451 HG21 ' HZ ' ' N' ' 19' ' ' PHE . 25.8 t -117.2 130.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . 0.502 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -135.0 128.05 4.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.123 -1.037 . . . . 10.0 112.824 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.13 114.51 0.81 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.252 -0.739 . . . . 10.0 111.252 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' O' ' 39' ' ' VAL . 30.8 t -125.31 121.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.772 0.286 . . . . 10.0 110.48 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.683 -0.675 . . . . 10.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' B' ' 12' ' ' VAL . 19.2 t -97.91 99.61 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -107.71 112.64 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.699 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -121.16 106.67 11.75 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.15 128.02 47.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.234 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HB2' ' HD3' ' B' ' 16' ' ' LYS . 83.7 mttt -135.8 129.01 31.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.924 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' HG ' HD13 ' B' ' 17' ' ' LEU . 5.2 mp -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.943 -0.762 . . . . 10.0 108.943 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -133.38 128.9 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.621 0.724 . . . . 10.0 112.108 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.38 112.61 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.407 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -87.9 100.12 12.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.766 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.8 102.26 11.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.725 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.33 117.51 31.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.3 143.94 44.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.034 0.445 . . . . 10.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 23' ' ' ASP . 2.9 t -124.02 32.41 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.663 0.744 . . . . 10.0 109.072 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.656 ' HA2' ' O ' ' B' ' 25' ' ' GLY . . . -73.38 88.11 0.6 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.7 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -20.63 55.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.95 109.14 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.668 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 28' ' ' LYS . 91.6 mttt 63.02 96.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 114.243 1.201 . . . . 10.0 114.243 178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.23 -23.61 77.89 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.118 -0.793 . . . . 10.0 111.118 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.68 -127.39 0.06 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' HB ' HG12 ' B' ' 31' ' ' ILE . 28.3 mm -109.86 135.91 47.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.019 0.438 . . . . 10.0 111.557 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.12 141.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.856 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA3' HG21 ' I' ' 39' ' ' VAL . . . -137.16 119.45 1.91 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.446 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.4 mt -116.27 101.36 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.444 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.6 mpt? -106.45 101.42 10.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.941 0.401 . . . . 10.0 111.829 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.37 112.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.755 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.29 90.71 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.036 -0.602 . . . . 10.0 112.486 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.42 83.3 0.58 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.009 -0.615 . . . . 10.0 111.605 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG21 ' HA3' ' I' ' 33' ' ' GLY . 25.7 t -82.76 109.33 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.892 0.377 . . . . 10.0 110.641 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.7 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.425 0.155 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.518 ' HA ' ' HB ' ' A' ' 12' ' ' VAL . 18.7 t -113.84 118.14 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 10.0 110.802 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -120.57 118.9 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.566 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -124.28 108.4 12.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.745 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -120.62 123.01 41.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.384 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.552 ' HD3' ' HB2' ' A' ' 16' ' ' LYS . 3.8 tppp? -125.2 120.18 30.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.248 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.601 HD13 ' HG ' ' A' ' 17' ' ' LEU . 5.2 mp -114.1 108.39 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.816 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' C' ' 18' ' ' VAL . 2.3 m -119.25 111.22 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 10.0 110.878 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -115.28 127.07 55.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -111.07 110.46 21.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.24 107.99 14.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.923 0.392 . . . . 10.0 110.376 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.75 120.03 40.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.512 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -109.75 148.35 31.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.656 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' C' ' 26' ' ' SER . 5.5 t -129.06 26.44 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 10.0 109.538 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.656 ' O ' ' HA2' ' A' ' 25' ' ' GLY . . . -68.25 78.02 0.23 Allowed Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.879 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 1.5 m -64.29 -25.84 68.23 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.437 0.295 . . . . 10.0 111.747 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -136.55 108.86 7.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.69 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' C' ' 28' ' ' LYS . 79.0 mttt 63.96 103.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 114.319 1.229 . . . . 10.0 114.319 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.07 -19.28 79.95 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 111.071 -0.812 . . . . 10.0 111.071 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.59 -107.02 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.739 0.815 . . . . 10.0 112.939 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' C' ' 31' ' ' ILE . 96.6 mt -140.28 105.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.348 0.594 . . . . 10.0 111.363 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.677 HG22 HG12 ' C' ' 32' ' ' ILE . 41.2 pt -120.16 136.66 56.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.299 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.68 ' HA3' HG11 ' J' ' 39' ' ' VAL . . . -138.31 135.99 7.81 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.152 -1.023 . . . . 10.0 113.401 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' C' ' 34' ' ' LEU . 6.0 mp -127.47 122.18 32.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.444 ' HG3' ' HB2' ' A' ' 35' ' ' MET . 1.6 mpt? -117.96 115.48 24.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 10.0 111.116 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.85 106.56 20.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.58 110.85 2.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.772 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.32 116.27 2.63 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.818 -0.706 . . . . 10.0 111.541 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -116.35 112.67 40.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.645 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.63 0.252 . . . . 10.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 t -121.76 116.63 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.047 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -117.59 121.51 41.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -121.69 111.1 16.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.107 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -123.76 119.63 30.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 10.0 110.743 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -124.99 124.08 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.361 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.451 HD13 ' HG ' ' B' ' 17' ' ' LEU . 5.4 mp -114.19 108.44 16.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.706 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.476 ' HA ' HG23 ' B' ' 18' ' ' VAL . 10.7 t -114.79 113.14 42.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -123.7 126.63 46.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 10.0 111.419 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -112.9 125.39 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.584 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.47 100.69 5.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.751 -0.463 . . . . 10.0 109.751 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -102.5 111.16 23.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.224 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' C' ' 25' ' ' GLY . 0.0 OUTLIER -104.29 154.22 20.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.742 0.651 . . . . 10.0 109.577 179.516 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' D' ' 26' ' ' SER . 3.8 t -133.47 27.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.315 0.579 . . . . 10.0 109.48 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.628 ' HA2' ' O ' ' D' ' 25' ' ' GLY . . . -69.07 75.55 0.33 Allowed Glycine 0 C--O 1.225 -0.438 0 CA-C-N 115.635 -0.711 . . . . 10.0 113.846 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.677 ' HA ' ' O ' ' B' ' 24' ' ' VAL . 29.1 m -56.51 -34.08 66.65 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -124.5 106.19 9.98 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' B' ' 28' ' ' LYS . 98.2 mttt 65.01 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.374 1.25 . . . . 10.0 114.374 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.07 -17.73 74.02 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.365 -1.094 . . . . 10.0 110.365 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . 72.77 -117.57 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' B' ' 31' ' ' ILE . 36.8 mt -132.35 107.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.138 0.494 . . . . 10.0 111.852 -178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.677 HG12 HG22 ' B' ' 32' ' ' ILE . 12.0 pt -117.5 139.94 42.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.375 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.32 124.92 3.85 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.799 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' B' ' 34' ' ' LEU . 6.0 mp -119.54 107.55 13.43 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.392 -0.596 . . . . 10.0 109.392 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -111.5 118.87 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.313 0.577 . . . . 10.0 111.628 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 6.5 t -112.68 129.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.453 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.76 103.78 0.6 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.92 -0.657 . . . . 10.0 112.018 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.06 110.82 2.59 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.962 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.45 112.28 39.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.516 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 7.0 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.773 0.321 . . . . 10.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.01 116.7 50.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.431 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -117.67 123.21 45.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.542 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -122.56 102.56 8.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.16 121.49 45.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.171 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' HE2' ' E' ' 16' ' ' LYS . 63.2 mttp -127.84 120.79 28.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.118 0.485 . . . . 10.0 111.789 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' E' ' 17' ' ' LEU . 4.0 mm? -108.55 120.43 42.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.324 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' E' ' 18' ' ' VAL . 0.2 OUTLIER -128.51 111.55 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.367 . . . . 10.0 110.658 -179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -122.43 127.19 49.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.89 116.64 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.26 114.74 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 10.0 110.403 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -112.27 121.94 46.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.158 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' D' ' 25' ' ' GLY . 0.3 OUTLIER -116.25 158.49 23.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.522 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' E' ' 26' ' ' SER . 2.9 t -139.3 23.01 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.628 ' O ' ' HA2' ' C' ' 25' ' ' GLY . . . -69.97 81.47 0.34 Allowed Glycine 0 C--O 1.221 -0.708 0 CA-C-N 115.985 -0.552 . . . . 10.0 113.516 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' C' ' 24' ' ' VAL . 14.6 m -59.44 -23.18 62.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -134.0 108.0 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.776 0.287 . . . . 10.0 111.776 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' E' ' 28' ' ' LYS . 91.2 mttt 66.93 104.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 114.135 1.161 . . . . 10.0 114.135 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -17.07 80.28 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.138 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.15 -132.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 46.6 mt -123.7 105.64 15.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 10.0 111.818 -178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.547 ' HB ' HG12 ' E' ' 32' ' ' ILE . 28.5 pt -118.15 141.3 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.646 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 131.11 6.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.312 -0.947 . . . . 10.0 113.422 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.23 119.32 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.538 ' HG3' ' HA3' ' L' ' 37' ' ' GLY . 14.3 mmt -117.56 110.53 18.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.545 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 t -109.77 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.4 ' HA3' ' HG2' ' L' ' 35' ' ' MET . . . -111.33 116.94 4.36 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.56 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.19 119.08 3.31 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.637 -0.585 . . . . 10.0 111.637 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 t -117.2 120.68 65.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.981 0.419 . . . . 10.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.239 179.816 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mm-40 . . . . . 0 C--O 1.231 0.082 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.78 111.79 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.772 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -116.15 120.76 40.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.844 0.354 . . . . 10.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.91 114.89 24.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.337 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.57 116.5 23.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 10.0 110.211 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.42 ' HE2' ' HD2' ' D' ' 16' ' ' LYS . 95.0 mttt -124.78 128.22 48.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.183 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.569 ' HB2' HD13 ' D' ' 17' ' ' LEU . 5.0 mp -126.35 107.8 10.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.014 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' D' ' 18' ' ' VAL . 11.5 t -114.24 119.39 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.681 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.426 ' HZ ' HG21 ' G' ' 36' ' ' VAL . 12.9 m-85 -120.27 129.73 54.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.309 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -111.43 117.68 33.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.535 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.13 101.26 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -110.46 123.44 49.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.933 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.33 161.76 25.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.788 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' F' ' 26' ' ' SER . 1.9 t -136.18 28.64 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.845 0.355 . . . . 10.0 110.23 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.579 ' O ' ' HA2' ' D' ' 25' ' ' GLY . . . -69.73 79.46 0.35 Allowed Glycine 0 C--O 1.222 -0.655 0 CA-C-N 116.335 -0.393 . . . . 10.0 113.024 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' D' ' 24' ' ' VAL . 1.4 m -53.7 -27.99 31.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.078 0.769 . . . . 10.0 113.078 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -129.08 106.69 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.936 -0.306 . . . . 10.0 111.173 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.667 ' HA ' ' O ' ' D' ' 28' ' ' LYS . 80.5 mttt 68.55 100.62 0.06 Allowed 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.179 1.177 . . . . 10.0 114.179 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.26 -24.05 74.84 Favored Glycine 0 CA--C 1.518 0.22 0 N-CA-C 110.172 -1.171 . . . . 10.0 110.172 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . 76.48 -143.34 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' D' ' 31' ' ' ILE . 11.4 mm -102.1 114.92 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 10.0 111.921 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.547 HG12 ' HB ' ' D' ' 32' ' ' ILE . 1.2 pt -125.9 141.91 44.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.49 118.65 1.82 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.406 -0.902 . . . . 10.0 112.931 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 87.2 mt -111.06 111.59 22.79 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.513 ' HB2' ' HG3' ' F' ' 35' ' ' MET . 1.8 mpt? -114.44 111.91 22.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.025 0.441 . . . . 10.0 111.844 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -108.1 124.06 64.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.81 103.47 0.58 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.726 -0.749 . . . . 10.0 112.217 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.26 116.55 3.85 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.003 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.443 HG21 ' HA3' ' M' ' 33' ' ' GLY . 27.3 t -118.68 115.88 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.756 0.313 . . . . 10.0 110.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.403 HG12 ' CG1' ' F' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.906 0.384 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.41 117.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.516 0.674 . . . . 10.0 110.672 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -119.86 123.26 43.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.722 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -121.04 113.36 19.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.495 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -119.33 112.44 19.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.917 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -120.29 114.92 22.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.55 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.35 126.33 55.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.681 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.96 119.42 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.457 0.646 . . . . 10.0 111.498 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.507 ' HZ ' HG11 ' H' ' 36' ' ' VAL . 8.0 m-85 -120.16 132.96 55.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.757 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -116.61 108.25 15.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.81 110.17 19.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -125.86 121.72 34.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -118.44 163.64 16.44 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.745 -0.835 . . . . 10.0 108.745 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' G' ' 24' ' ' VAL . 2.1 t -128.65 9.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.995 0.426 . . . . 10.0 110.653 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' E' ' 25' ' ' GLY . . . -56.6 108.98 1.36 Allowed Glycine 0 C--O 1.215 -1.061 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.846 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' E' ' 24' ' ' VAL . 0.7 OUTLIER -82.82 -11.23 58.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.08 0.77 . . . . 10.0 113.08 -177.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -141.22 119.27 11.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.528 0.566 . . . . 10.0 112.528 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.733 ' O ' ' HA ' ' G' ' 28' ' ' LYS . 15.4 tptm 59.54 99.89 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 113.867 1.062 . . . . 10.0 113.867 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.75 -10.32 71.65 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.22 -0.752 . . . . 10.0 111.22 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.48 -108.31 0.11 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 24.7 mt -140.65 108.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.956 0.408 . . . . 10.0 111.259 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.651 HG22 ' HB ' ' G' ' 32' ' ' ILE . 12.7 pt -125.69 134.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.025 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.72 136.47 8.67 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.726 -0.75 . . . . 10.0 112.693 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 34' ' ' LEU . 6.5 mp -126.48 109.86 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' E' ' 35' ' ' MET . 2.0 mpt? -108.98 121.77 45.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.978 0.418 . . . . 10.0 111.072 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.88 113.11 41.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.12 113.63 3.1 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.985 -0.626 . . . . 10.0 111.989 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.14 113.62 2.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.124 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -118.84 125.29 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 5.2 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.679 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.958 0.409 . . . . 10.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 t -116.89 95.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.631 -0.877 . . . . 10.0 108.631 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -111.21 124.81 52.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.874 0.369 . . . . 10.0 111.264 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -125.76 104.67 8.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.956 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -112.24 131.87 55.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.373 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -133.76 127.63 33.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.957 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.96 110.55 17.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.001 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -115.13 111.67 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.619 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -122.53 124.43 43.53 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.778 0.323 . . . . 10.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -116.08 125.2 52.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 105.71 6.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.524 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -124.98 119.91 30.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.23 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -126.68 132.7 51.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' F' ' 24' ' ' VAL . 2.4 t -87.67 61.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.17 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' H' ' 25' ' ' GLY . . . -65.26 172.06 22.85 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.325 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 7.4 m -148.63 -55.3 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.421 . . . . 10.0 109.885 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -125.96 111.86 15.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.733 ' HA ' ' O ' ' F' ' 28' ' ' LYS . 45.5 mtmt 64.34 107.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 114.442 1.275 . . . . 10.0 114.442 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.83 -15.33 78.14 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.81 -0.916 . . . . 10.0 110.81 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.844 ' HB2' ' HG3' ' H' ' 28' ' ' LYS . . . 75.36 -129.68 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 113.145 0.795 . . . . 10.0 113.145 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 54.3 mt -121.64 108.88 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.207 0.527 . . . . 10.0 111.544 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.651 ' HB ' HG22 ' F' ' 32' ' ' ILE . 56.1 mt -122.18 127.71 75.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.105 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.22 124.01 4.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.453 -0.879 . . . . 10.0 112.889 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' F' ' 34' ' ' LEU . 6.6 mp -108.13 125.45 51.62 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.533 ' HB2' ' HG3' ' H' ' 35' ' ' MET . 17.5 mmt -122.88 104.78 9.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.931 0.396 . . . . 10.0 110.981 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.426 HG21 ' HZ ' ' E' ' 19' ' ' PHE . 20.7 t -102.25 112.97 37.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -117.24 109.69 1.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.522 -0.847 . . . . 10.0 112.349 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.47 119.82 4.1 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.009 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' H' ' 39' ' ' VAL . 37.8 t -123.48 118.84 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 110.217 -0.29 . . . . 10.0 110.217 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 61.7 t . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.158 -0.312 . . . . 10.0 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -109.99 123.86 66.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.644 0.259 . . . . 10.0 110.701 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -128.51 119.96 25.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.053 0.454 . . . . 10.0 110.841 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -118.25 111.35 18.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.805 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -126.58 125.68 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.451 -0.341 . . . . 10.0 110.373 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -134.89 134.02 40.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 10.0 111.977 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.82 127.48 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.018 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -129.2 111.11 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.146 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.09 126.2 45.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -120.91 113.38 20.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.6 120.38 28.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.707 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.69 147.74 52.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.132 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -155.59 172.51 18.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.731 -0.213 . . . . 10.0 110.511 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' G' ' 24' ' ' VAL . 2.4 t -129.23 75.19 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.032 0.444 . . . . 10.0 109.983 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.492 ' O ' ' HA2' ' G' ' 25' ' ' GLY . . . -86.61 78.59 1.9 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 116.0 -0.546 . . . . 10.0 112.094 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -47.28 75.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.102 0.477 . . . . 10.0 111.403 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -130.14 104.97 7.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.465 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.844 ' HG3' ' HB2' ' G' ' 30' ' ' ALA . 26.9 ttpt 68.54 111.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.862 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.99 8.27 67.37 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.003 -0.618 . . . . 10.0 111.768 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.3 -158.7 0.32 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.13 0.572 . . . . 10.0 112.124 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' G' ' 31' ' ' ILE . 46.0 mt -105.68 107.12 21.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.167 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.11 141.79 42.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.23 129.99 6.47 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.895 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 49.0 tp -112.67 101.46 9.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.533 ' HG3' ' HB2' ' G' ' 35' ' ' MET . 2.2 mpt? -106.99 135.28 48.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.923 0.392 . . . . 10.0 111.144 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.507 HG11 ' HZ ' ' F' ' 19' ' ' PHE . 5.5 p -135.94 131.75 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.779 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.44 115.61 1.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.555 -0.831 . . . . 10.0 112.672 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.69 112.69 1.81 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.835 -0.698 . . . . 10.0 111.705 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' G' ' 39' ' ' VAL . 22.5 t -119.83 126.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.528 -0.748 . . . . 10.0 111.078 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' J' ' 12' ' ' VAL . 22.8 t -103.21 104.74 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.651 -0.5 . . . . 10.0 109.651 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -106.47 116.11 31.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.375 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -127.33 100.94 6.26 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -131.89 126.42 34.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.767 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' I' ' 16' ' ' LYS . 12.0 ptpt -140.63 134.01 29.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.155 0.502 . . . . 10.0 111.751 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.449 ' HG ' HD13 ' J' ' 17' ' ' LEU . 5.0 mp -119.88 117.03 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.371 -0.831 . . . . 10.0 109.452 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -121.72 121.89 65.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.951 0.405 . . . . 10.0 110.801 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -115.28 115.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.289 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.22 110.95 23.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.59 93.07 3.95 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.932 0.396 . . . . 10.0 111.36 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.13 112.18 24.02 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.98 140.34 46.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.415 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.794 HG22 ' HA ' ' J' ' 24' ' ' VAL . 27.3 m -122.38 33.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.607 0.718 . . . . 10.0 110.516 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' J' ' 25' ' ' GLY . . . -71.82 95.41 0.63 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.007 -0.997 . . . . 10.0 111.661 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -32.24 73.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -148.21 134.94 19.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' J' ' 28' ' ' LYS . 68.9 mttm 61.95 82.76 0.16 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.536 -1.211 . . . . 10.0 113.262 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.13 -26.37 73.38 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 110.789 -0.924 . . . . 10.0 110.789 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . 69.91 -138.27 0.07 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' J' ' 31' ' ' ILE . 13.1 mm -97.83 137.51 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.134 0.492 . . . . 10.0 112.21 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 tt -148.11 141.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.984 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.498 ' HA3' HG21 ' A' ' 39' ' ' VAL . . . -138.77 120.3 1.91 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.435 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -118.74 107.61 13.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.534 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 1.4 mpt? -113.17 111.92 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 10.0 111.932 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -108.83 116.52 52.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.079 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.97 88.04 0.43 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.094 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 80.26 0.48 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.038 -0.601 . . . . 10.0 111.682 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.91 ' HB ' HG12 ' J' ' 39' ' ' VAL . 28.6 t -85.76 104.89 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.188 0.518 . . . . 10.0 110.462 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.591 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.568 ' HG3' ' HB2' ' K' ' 11' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.851 0.357 . . . . 10.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' I' ' 12' ' ' VAL . 27.1 t -114.27 117.2 54.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.638 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -117.11 117.66 30.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.355 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -122.1 106.43 11.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.224 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -120.11 123.41 43.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -127.73 123.44 35.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.375 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.509 ' HG ' HD13 ' K' ' 17' ' ' LEU . 5.6 mp -117.24 111.71 19.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.8 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 114.07 41.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.391 0.615 . . . . 10.0 111.284 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.51 122.61 45.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -106.31 114.59 28.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.891 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.26 109.02 13.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.819 0.342 . . . . 10.0 110.347 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -102.85 119.93 39.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.992 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.88 144.12 38.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.591 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.794 ' HA ' HG22 ' I' ' 24' ' ' VAL . 13.3 t -125.73 22.78 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.44 0.638 . . . . 10.0 109.663 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' K' ' 25' ' ' GLY . . . -70.09 67.58 0.67 Allowed Glycine 0 C--N 1.333 0.389 0 CA-C-N 115.677 -0.692 . . . . 10.0 113.362 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.443 ' HA ' ' HA2' ' I' ' 25' ' ' GLY . 0.1 OUTLIER -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.047 0.758 . . . . 10.0 113.047 -179.294 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -130.57 110.14 11.19 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.054 -0.258 . . . . 10.0 111.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.695 ' O ' ' HA ' ' K' ' 28' ' ' LYS . 11.4 mmmt 64.83 98.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.345 0.869 . . . . 10.0 113.345 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.51 -16.64 77.56 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.395 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.81 -95.01 0.03 OUTLIER 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.612 0.765 . . . . 10.0 112.753 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' K' ' 31' ' ' ILE . 14.5 tt -160.52 106.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.811 0.815 . . . . 10.0 112.555 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.62 HG22 HG12 ' K' ' 32' ' ' ILE . 46.0 pt -116.86 142.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.419 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.81 131.51 5.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.347 -0.93 . . . . 10.0 113.1 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.599 ' HG ' ' HB2' ' K' ' 34' ' ' LEU . 6.4 mp -125.41 119.34 28.02 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.534 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.3 mpt? -122.48 109.66 14.63 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.01 0.433 . . . . 10.0 111.016 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.474 HG23 ' HB ' ' K' ' 36' ' ' VAL . 3.0 p -112.1 114.58 47.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.096 0.474 . . . . 10.0 110.52 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.55 125.04 6.52 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.973 -0.632 . . . . 10.0 111.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.51 115.64 1.4 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.866 -0.683 . . . . 10.0 111.539 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.91 HG12 ' HB ' ' I' ' 39' ' ' VAL . 3.9 m -114.56 119.13 60.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.112 0.482 . . . . 10.0 110.865 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' K' ' 40' ' ' VAL . 47.1 t . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.278 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.568 ' HB2' ' HG3' ' J' ' 11' ' ' GLU . 50.0 mt-10 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.92 0.391 . . . . 10.0 111.336 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.97 111.95 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.843 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -113.95 124.41 52.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.439 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -122.19 112.22 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.975 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -123.68 119.59 30.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.939 0.4 . . . . 10.0 110.655 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -123.83 125.38 44.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.509 HD13 ' HG ' ' J' ' 17' ' ' LEU . 5.5 mp -116.97 105.26 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.501 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 t -113.72 115.19 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.662 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -124.51 122.99 39.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.935 0.398 . . . . 10.0 111.329 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -108.75 117.72 34.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.107 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.5 104.93 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 10.0 110.19 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' L' ' 23' ' ' ASP . 34.0 tt0 -105.02 115.97 31.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.378 -0.373 . . . . 10.0 111.21 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.416 ' CG ' ' H ' ' K' ' 25' ' ' GLY . 0.0 OUTLIER -108.04 155.29 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.437 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.754 ' O ' ' HA ' ' L' ' 26' ' ' SER . 7.4 t -134.12 25.92 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.152 0.501 . . . . 10.0 109.754 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . 0.644 ' O ' ' HA2' ' J' ' 25' ' ' GLY . . . -68.8 74.34 0.33 Allowed Glycine 0 C--O 1.224 -0.507 0 CA-C-N 116.01 -0.541 . . . . 10.0 114.04 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . 0.711 ' HA ' ' O ' ' J' ' 24' ' ' VAL . 8.0 m -52.89 -37.48 60.58 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -123.68 113.41 18.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.206 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.695 ' HA ' ' O ' ' J' ' 28' ' ' LYS . 88.5 mttt 61.48 98.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 114.201 1.186 . . . . 10.0 114.201 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.81 -18.23 74.0 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.342 -1.103 . . . . 10.0 110.342 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.07 -120.13 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.329 0.862 . . . . 10.0 113.329 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.573 ' O ' ' HA ' ' L' ' 31' ' ' ILE . 14.2 mt -130.28 105.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 10.0 111.837 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.62 HG12 HG22 ' J' ' 32' ' ' ILE . 8.9 pt -116.66 137.71 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.877 -0.416 . . . . 10.0 109.877 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.27 124.99 4.29 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 113.058 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.599 ' HB2' ' HG ' ' J' ' 34' ' ' LEU . 6.1 mp -119.68 109.18 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.549 -0.537 . . . . 10.0 109.549 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -113.37 123.46 50.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 10.0 111.424 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.474 ' HB ' HG23 ' J' ' 36' ' ' VAL . 4.6 t -116.9 128.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.575 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.86 102.51 0.62 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.151 -0.547 . . . . 10.0 111.783 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.74 107.66 2.16 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.783 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 t -108.2 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' J' ' 40' ' ' VAL . 34.8 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.653 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 10.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 14.9 t -122.24 106.33 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' M' ' 40' ' ' VAL . 47.2 t60 -112.93 123.23 49.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.324 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -122.82 104.55 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.652 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -112.51 120.66 42.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -128.24 118.58 23.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.993 0.425 . . . . 10.0 111.862 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' M' ' 17' ' ' LEU . 3.7 mm? -107.95 118.23 36.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.362 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' M' ' 18' ' ' VAL . 0.6 OUTLIER -126.09 110.91 24.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.023 0.439 . . . . 10.0 110.935 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.46 131.08 54.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.908 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -118.9 119.61 34.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.93 113.57 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -111.32 121.26 44.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.584 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.471 ' HB3' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -116.56 159.11 22.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 10.0 109.98 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' M' ' 26' ' ' SER . 2.8 t -139.77 22.61 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . 0.626 ' HA2' ' O ' ' M' ' 25' ' ' GLY . . . -70.45 78.92 0.44 Allowed Glycine 0 C--O 1.219 -0.785 0 CA-C-N 115.857 -0.61 . . . . 10.0 113.632 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . 0.754 ' HA ' ' O ' ' K' ' 24' ' ' VAL . 14.4 m -59.7 -23.99 63.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -129.06 105.77 8.42 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 121.01 -0.276 . . . . 10.0 111.311 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' K' ' 28' ' ' LYS . 95.9 mttt 65.48 103.49 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 114.343 1.238 . . . . 10.0 114.343 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.69 -18.15 78.53 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 110.83 -0.908 . . . . 10.0 110.83 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . . . . . . . . . . . 74.21 -133.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.591 ' O ' ' HA ' ' M' ' 31' ' ' ILE . 47.3 mt -122.67 106.59 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.974 0.416 . . . . 10.0 111.868 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.414 ' HB ' HG12 ' M' ' 32' ' ' ILE . 35.4 pt -118.49 141.2 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.3 129.61 5.94 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.619 -0.801 . . . . 10.0 113.301 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp -120.05 119.82 34.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.4 ' HG2' ' HA3' ' D' ' 37' ' ' GLY . 1.5 mpt? -121.85 110.69 16.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.202 0.525 . . . . 10.0 111.05 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.08 106.29 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.215 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.538 ' HA3' ' HG3' ' D' ' 35' ' ' MET . . . -111.43 116.83 4.32 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.364 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.03 120.12 3.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.081 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -119.99 124.56 72.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' M' ' 40' ' ' VAL . 9.2 p . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.605 0.241 . . . . 10.0 110.79 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 39.3 t -121.17 113.76 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.25 112.08 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.404 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -118.37 114.19 22.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.089 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -124.95 121.8 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.305 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.4 ' HB2' HD13 ' L' ' 17' ' ' LEU . 5.7 mp -120.52 114.72 22.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.1 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.478 ' HB ' HG12 ' N' ' 18' ' ' VAL . 6.9 t -119.02 121.65 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.463 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.59 130.07 53.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.346 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -113.2 118.79 35.67 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.394 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.35 102.85 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 10.0 110.024 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -113.77 126.15 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.285 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -125.9 161.23 27.93 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' N' ' 26' ' ' SER . 1.8 t -132.89 29.18 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.813 0.339 . . . . 10.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.626 ' O ' ' HA2' ' L' ' 25' ' ' GLY . . . -69.11 80.79 0.26 Allowed Glycine 0 C--O 1.223 -0.579 0 CA-C-N 116.281 -0.418 . . . . 10.0 113.396 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' L' ' 24' ' ' VAL . 2.3 m -54.77 -31.97 59.43 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -124.17 109.72 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.979 0.362 . . . . 10.0 111.979 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' L' ' 28' ' ' LYS . 1.8 tppt? 65.35 95.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.246 -0.888 . . . . 10.0 113.297 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.6 -24.29 69.44 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.293 -0.723 . . . . 10.0 111.293 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' CD ' ' N' ' 28' ' ' LYS . . . 78.78 -143.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.44 0.904 . . . . 10.0 113.44 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.591 ' HA ' ' O ' ' L' ' 31' ' ' ILE . 61.6 mt -109.69 118.63 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.117 0.484 . . . . 10.0 112.27 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' L' ' 32' ' ' ILE . 3.1 pt -126.28 145.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.918 178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . 0.443 ' HA3' HG21 ' E' ' 39' ' ' VAL . . . -134.43 121.03 2.57 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.86 108.68 17.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.471 ' HB2' ' HG3' ' N' ' 35' ' ' MET . 1.7 mpt? -113.7 113.61 25.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.005 0.431 . . . . 10.0 111.897 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.54 121.08 61.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.584 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.58 105.86 0.89 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.094 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.65 115.79 3.39 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.768 -0.73 . . . . 10.0 111.739 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.51 121.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.64 0.257 . . . . 10.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' N' ' 40' ' ' VAL . 1.6 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.3 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.654 0.264 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.2 118.09 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.942 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . 0.451 ' CE1' HG21 ' O' ' 40' ' ' VAL . 8.4 t60 -121.28 121.5 37.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -121.0 117.17 26.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.851 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -121.11 115.23 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.078 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -121.87 120.7 35.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.378 . . . . 10.0 111.366 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.64 121.57 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.358 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' M' ' 18' ' ' VAL . 2.0 m -128.7 119.11 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.107 0.48 . . . . 10.0 111.269 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -121.54 126.42 49.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -114.25 112.19 22.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.04 108.79 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.081 -0.711 . . . . 10.0 109.081 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -123.06 123.22 40.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.684 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -120.87 166.27 14.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.006 -0.738 . . . . 10.0 109.006 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' O' ' 24' ' ' VAL . 2.2 t -130.95 11.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.921 0.391 . . . . 10.0 110.395 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' M' ' 25' ' ' GLY . . . -58.87 102.85 0.31 Allowed Glycine 0 C--O 1.215 -1.052 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' M' ' 24' ' ' VAL . 0.8 OUTLIER -80.88 -5.54 57.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -143.38 114.81 8.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.367 0.506 . . . . 10.0 112.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' O' ' 28' ' ' LYS . 2.4 tppp? 60.59 98.75 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.953 1.094 . . . . 10.0 113.953 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.8 -7.63 66.18 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 120.824 -0.703 . . . . 10.0 111.663 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.99 -109.03 0.18 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' O' ' 31' ' ' ILE . 24.8 mt -141.08 107.85 2.11 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.846 0.355 . . . . 10.0 110.94 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.528 HG22 ' HB ' ' O' ' 32' ' ' ILE . 17.5 pt -125.78 135.31 64.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.663 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.25 137.97 9.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.831 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' O' ' 34' ' ' LEU . 6.1 mp -126.47 111.14 14.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.471 ' HG3' ' HB2' ' M' ' 35' ' ' MET . 1.8 mpt? -109.79 119.98 41.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.32 114.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.29 114.28 3.14 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.037 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.18 113.72 2.0 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.009 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 t -117.09 122.16 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.9 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.194 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.839 0.352 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.52 110.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . 0.428 ' ND1' ' HB3' ' P' ' 13' ' ' HIS . 61.4 t60 -119.36 130.61 55.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.267 0.556 . . . . 10.0 111.558 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.43 110.97 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.455 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -115.55 125.59 53.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.523 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -126.32 124.43 40.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.025 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.64 108.94 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.544 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.51 ' HB ' HG23 ' P' ' 18' ' ' VAL . 9.1 t -118.0 113.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.468 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.38 126.14 46.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.792 0.329 . . . . 10.0 111.236 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -117.16 120.61 38.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.32 103.65 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.406 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -120.69 118.95 31.4 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.048 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -128.53 129.43 45.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.941 0.401 . . . . 10.0 110.088 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.429 ' HA ' HG23 ' N' ' 24' ' ' VAL . 6.5 t -85.96 65.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.079 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' P' ' 25' ' ' GLY . . . -65.35 173.2 20.72 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.723 -0.671 . . . . 10.0 112.895 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 48.8 m -152.78 -52.4 0.11 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.954 0.407 . . . . 10.0 109.915 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -130.53 116.93 18.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.387 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' N' ' 28' ' ' LYS . 93.6 mttt 67.28 107.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 114.175 1.176 . . . . 10.0 114.175 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.51 -12.27 83.81 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.333 -1.107 . . . . 10.0 110.333 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.698 ' HB2' ' HG2' ' P' ' 28' ' ' LYS . . . 68.45 -135.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 123.558 0.743 . . . . 10.0 112.67 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' N' ' 31' ' ' ILE . 38.6 mt -121.26 107.19 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.197 0.522 . . . . 10.0 111.439 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.528 ' HB ' HG22 ' N' ' 32' ' ' ILE . 52.2 mt -120.94 128.52 76.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.753 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.64 121.65 3.7 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.633 -0.794 . . . . 10.0 112.825 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.457 ' HB2' ' HG ' ' N' ' 34' ' ' LEU . 6.4 mp -104.93 122.69 46.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.556 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 20.3 mmt -119.74 102.1 8.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.91 0.386 . . . . 10.0 110.655 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 t -101.37 111.03 29.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.136 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -115.6 111.36 2.42 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.476 -0.869 . . . . 10.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.99 118.95 3.45 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.132 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.38 125.59 71.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.035 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.801 0.334 . . . . 10.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.52 133.89 64.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.094 0.473 . . . . 10.0 111.376 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . 0.428 ' HB3' ' ND1' ' O' ' 13' ' ' HIS . 1.3 t-80 -128.43 118.39 23.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.112 -0.495 . . . . 10.0 109.749 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -117.72 109.89 17.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -112.9 126.69 55.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.981 0.42 . . . . 10.0 110.113 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -126.3 116.87 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.127 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 22.8 tp -122.67 115.35 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.086 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' O' ' 18' ' ' VAL . 13.7 p -132.45 136.31 56.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 10.0 111.425 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -137.8 134.32 35.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.267 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -119.31 115.66 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.354 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.75 116.0 20.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.623 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.46 148.08 49.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.911 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -158.05 172.59 18.15 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.41 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.78 72.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA2' ' O' ' 25' ' ' GLY . . . -82.69 85.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.003 -0.617 . . . . 10.0 112.551 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -48.41 81.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.276 0.56 . . . . 10.0 110.755 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -126.97 107.43 10.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.346 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . 0.698 ' HG2' ' HB2' ' O' ' 30' ' ' ALA . 13.8 ttmt 70.63 111.67 0.06 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.998 0.811 . . . . 10.0 112.913 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.35 3.47 62.6 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.094 -0.574 . . . . 10.0 111.942 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . 0.414 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . 64.2 -170.0 0.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.268 0.627 . . . . 10.0 112.431 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' O' ' 31' ' ' ILE . 59.6 mt -99.15 109.98 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.927 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.422 HG13 HG23 ' O' ' 32' ' ' ILE . 18.1 pt -129.36 145.66 35.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.241 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 128.46 5.01 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.881 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -108.06 103.85 13.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.465 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.6 mpt? -103.13 125.93 50.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.731 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -119.81 122.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.549 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.55 102.62 0.83 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.637 -0.792 . . . . 10.0 112.199 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 113.04 2.18 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.772 -0.728 . . . . 10.0 112.424 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 t -122.42 130.7 74.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' O' ' 40' ' ' VAL . 1.5 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.87 179.468 . . . . . . . . 1 1 . 1 stop_ save_