data_1h1j_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1h1j _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' S' S ' 4' ' ' ASP . . . . . 0.564 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.374 0.607 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.633 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 6.0 m-85 -50.43 -30.45 12.54 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.791 -0.568 . . . . 0.0 111.471 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.569 ' C ' ' O ' ' S' ' 5' ' ' TYR . 1.0 OUTLIER -3.11 -64.38 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 9.6 m -153.19 48.15 0.7 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.019 -1.051 . . . . 0.0 111.415 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -63.51 170.75 2.94 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 118.071 -1.452 . . . . 0.0 108.187 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.505 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -75.29 153.29 38.01 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.24 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.468 ' HA ' HD11 ' S' ' 13' ' ' LEU . 0.4 OUTLIER -48.57 -27.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.663 -1.273 . . . . 0.0 109.334 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.468 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 3.5 t -66.95 -43.94 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 110.167 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.594 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.27 -44.71 62.41 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.853 -1.154 . . . . 0.0 109.676 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.601 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.4 mp -55.99 -43.77 77.96 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.381 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 4.6 tttt -68.78 -31.29 70.2 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.486 -0.759 . . . . 0.0 109.586 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 2.0 t70 -69.73 -49.92 48.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.2 OUTLIER -66.51 -44.17 83.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.775 -1.203 . . . . 0.0 110.248 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.613 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.0 -37.99 89.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.987 -1.07 . . . . 0.0 109.556 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 14.0 m -61.54 -44.38 97.15 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.219 -0.926 . . . . 0.0 108.782 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -13.58 59.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.455 -0.778 . . . . 0.0 110.069 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.8 mtt-85 -88.24 8.69 26.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.92 . . . . 0.0 110.239 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.0 OUTLIER 64.25 18.02 11.05 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.162 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.609 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.7 tm? -147.14 112.01 5.38 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.512 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.3 OUTLIER -82.64 175.0 10.5 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.302 -0.874 . . . . 0.0 112.046 -178.387 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.693 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.657 -0.652 . . . . 0.0 110.123 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.902 0.382 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.32 -40.28 95.59 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.686 -1.259 . . . . 0.0 108.935 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.88 -39.75 82.37 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.607 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -60.77 -47.79 84.74 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.533 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.8 OUTLIER -59.18 -44.68 92.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.655 0.74 . . . . 0.0 109.407 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 25.0 mt-30 -66.91 -36.52 82.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.467 -0.771 . . . . 0.0 110.391 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -65.42 -43.95 88.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.094 . . . . 0.0 109.936 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.633 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 42.8 mt -68.76 -48.52 63.51 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.575 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.533 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.97 -45.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.494 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -62.41 -43.9 97.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 109.244 179.265 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 21.8 t70 -71.48 -35.64 70.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.711 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.8 t70 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.498 -0.751 . . . . 0.0 110.461 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.552 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.122 0.487 . . . . 0.0 110.656 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.655 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 11.9 m-85 -49.65 -32.07 12.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.628 -0.67 . . . . 0.0 111.468 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 13.9 t 1.99 -70.08 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 CA-C-O 121.23 0.538 . . . . 0.0 112.117 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.574 ' N ' ' O ' ' S' ' 5' ' ' TYR . 10.4 t -151.92 56.84 0.85 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.213 -0.929 . . . . 0.0 110.68 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -72.0 175.19 6.11 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.73 -1.231 . . . . 0.0 109.371 179.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.542 ' O ' HD13 ' S' ' 13' ' ' LEU . 2.3 m -77.04 142.48 39.85 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.465 HG21 ' HD2' ' S' ' 28' ' ' LYS . 16.0 t -49.01 -36.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.758 -1.214 . . . . 0.0 110.365 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -64.84 -45.9 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.095 . . . . 0.0 110.117 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.562 ' NE2' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.92 -34.91 66.89 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.804 -1.185 . . . . 0.0 110.152 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.583 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.34 -39.61 79.94 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.44 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.57 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 5.0 mtpt -70.46 -30.8 67.72 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.47 -49.8 70.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.581 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.76 -44.73 80.66 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.795 -1.191 . . . . 0.0 109.818 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.64 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.1 -37.4 87.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.902 -1.124 . . . . 0.0 109.332 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 8.5 m -61.37 -43.72 98.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.199 -0.938 . . . . 0.0 108.849 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -78.0 -14.16 59.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.563 -0.711 . . . . 0.0 109.84 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 5.1 mtt-85 -87.9 7.87 28.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.321 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.8 OUTLIER 64.93 19.23 11.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.7 tm? -148.94 113.39 5.29 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.543 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.88 174.89 10.0 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.238 -0.914 . . . . 0.0 112.231 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.679 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.791 -0.568 . . . . 0.0 110.019 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.384 0.612 . . . . 0.0 109.494 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -63.56 -41.5 98.42 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.72 -1.238 . . . . 0.0 108.637 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -56.67 -36.78 69.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.591 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.93 -47.67 79.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.5 OUTLIER -59.83 -45.26 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-O 121.63 0.728 . . . . 0.0 109.845 178.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 23.3 mt-30 -67.05 -35.7 80.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.679 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -68.71 -45.21 72.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.895 -1.128 . . . . 0.0 110.749 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.655 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 20.7 mt -69.44 -47.22 64.75 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 117.841 -1.544 . . . . 0.0 109.799 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.5 -45.16 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.625 -0.672 . . . . 0.0 111.113 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -69.1 -40.63 78.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.915 -1.115 . . . . 0.0 109.72 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 36.0 t70 -71.58 -42.93 67.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 110.119 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.3 t70 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.317 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.568 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.209 0.528 . . . . 0.0 110.382 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.624 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.3 m-85 -50.03 -29.87 9.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.8 -0.562 . . . . 0.0 111.137 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 9.9 t -6.55 -60.58 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.59 ' N ' ' O ' ' S' ' 5' ' ' TYR . 19.3 m -152.96 49.67 0.73 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.062 -1.055 . . . . 0.0 111.735 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.614 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -69.71 169.05 13.64 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 117.894 -1.523 . . . . 0.0 108.424 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.507 ' O ' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.31 156.61 35.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.422 ' HA ' HD11 ' S' ' 13' ' ' LEU . 2.5 p -49.62 -28.13 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.629 -1.294 . . . . 0.0 109.602 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.466 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.1 t -67.11 -43.98 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 110.334 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.4 OUTLIER -72.21 -45.04 61.95 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.865 -1.147 . . . . 0.0 109.62 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.602 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.5 mp -56.02 -43.79 78.09 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.853 -1.139 . . . . 0.0 108.372 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.525 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.2 tttt -69.31 -31.36 69.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.453 -0.779 . . . . 0.0 109.897 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 0.3 OUTLIER -70.07 -50.38 41.55 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.988 . . . . 0.0 110.607 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.613 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.2 OUTLIER -65.58 -43.94 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.831 -1.168 . . . . 0.0 110.131 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.612 ' CD1' ' CD1' ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.05 -39.01 93.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.931 -1.106 . . . . 0.0 109.626 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.7 m -60.94 -43.98 97.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.081 -1.012 . . . . 0.0 108.831 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.05 -13.98 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.192 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.9 mtt-85 -88.46 9.39 23.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.17 -0.956 . . . . 0.0 110.266 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.4 OUTLIER 64.03 18.55 11.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -178.2 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.612 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.7 tm? -147.7 112.74 5.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.517 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.11 174.93 10.38 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.384 -0.823 . . . . 0.0 112.125 -178.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.672 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.661 -0.649 . . . . 0.0 110.12 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 3.9 tptp . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.064 0.459 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . 0.487 ' ND2' ' N ' ' S' ' 29' ' ' ASN . 1.6 m120 -64.53 -37.19 86.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.524 -1.36 . . . . 0.0 108.659 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -59.87 -38.23 81.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.59 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.39 -48.21 82.26 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.527 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.77 -44.61 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 121.554 0.692 . . . . 0.0 109.843 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 77.8 mt-30 -66.08 -35.9 81.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.347 -0.846 . . . . 0.0 110.272 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.672 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.43 -43.8 84.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.045 -1.034 . . . . 0.0 110.047 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.624 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 38.8 mt -68.55 -48.29 64.67 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 118.308 -1.357 . . . . 0.0 110.38 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.63 -44.52 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.476 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -66.19 -45.05 82.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.012 -1.055 . . . . 0.0 109.587 179.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 30.8 t0 -71.67 -38.65 70.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 6.2 t70 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.0 110.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.561 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.34 0.591 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.647 ' CG ' ' CB ' ' S' ' 35' ' ' LEU . 13.6 m-85 -49.96 -34.15 19.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 111.284 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.574 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER 4.12 -70.92 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 CA-C-O 121.201 0.524 . . . . 0.0 112.1 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.593 ' N ' ' O ' ' S' ' 5' ' ' TYR . 2.4 t -151.9 55.9 0.84 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.151 -0.968 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.584 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -74.04 177.08 5.93 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.723 -1.236 . . . . 0.0 109.454 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.587 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.4 t -77.77 140.46 39.46 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.493 HG21 ' HD2' ' S' ' 28' ' ' LYS . 9.7 t -48.79 -34.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.687 -1.258 . . . . 0.0 110.739 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 4.3 p -64.82 -45.72 94.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 120.937 -1.102 . . . . 0.0 110.416 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.595 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -73.25 -36.77 66.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.631 -1.293 . . . . 0.0 110.395 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.618 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.6 OUTLIER -58.07 -39.65 79.02 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.567 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -68.59 -30.49 69.26 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 26.3 t0 -68.18 -49.62 59.7 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -62.18 -44.03 97.51 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.598 -1.314 . . . . 0.0 109.488 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.72 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 8.0 mt -70.11 -33.65 72.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.746 -1.221 . . . . 0.0 110.157 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 3.3 m -59.09 -41.88 89.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -16.56 57.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.703 -0.623 . . . . 0.0 109.358 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' S' ' 21' ' ' ASN . 6.1 ttt180 -86.95 -0.22 56.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.7 OUTLIER 67.82 22.13 8.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.028 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.6 OUTLIER -149.37 94.29 2.19 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.3 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.533 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.9 OUTLIER -53.0 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.613 -1.304 . . . . 0.0 110.856 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.614 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 110.819 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.493 ' HD2' HG21 ' S' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.934 0.397 . . . . 0.0 111.103 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.95 -43.65 98.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.658 -1.276 . . . . 0.0 109.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' S' ' 30' ' ' GLU . 11.2 mm-40 -56.31 -38.99 72.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.503 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' S' ' 31' ' ' LEU . 0.1 OUTLIER -61.56 -46.84 88.2 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.5 OUTLIER -59.17 -44.25 91.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.622 -0.673 . . . . 0.0 109.331 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.9 OUTLIER -67.86 -37.26 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.481 -0.762 . . . . 0.0 111.153 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.549 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 6.9 ttm180 -69.93 -44.65 69.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.847 -1.158 . . . . 0.0 110.867 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.72 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 11.8 mt -71.52 -46.69 58.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.025 -1.047 . . . . 0.0 110.582 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' S' ' 32' ' ' VAL . 55.4 mt -68.63 -41.27 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.775 . . . . 0.0 110.059 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 47.7 tttm -70.79 -39.2 73.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.212 -0.93 . . . . 0.0 109.684 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 2.6 m-20 -71.64 -47.29 55.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.897 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.564 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.158 0.504 . . . . 0.0 110.502 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.634 ' CG ' ' CB ' ' S' ' 35' ' ' LEU . 13.5 m-85 -51.05 -35.87 36.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.617 -0.677 . . . . 0.0 111.659 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.581 ' C ' ' O ' ' S' ' 5' ' ' TYR . 8.2 m 8.07 -74.97 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.231 0.538 . . . . 0.0 111.836 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.585 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -152.32 55.49 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.259 -0.901 . . . . 0.0 110.713 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.577 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -70.51 179.38 2.55 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.472 179.462 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.552 ' O ' HD13 ' S' ' 13' ' ' LEU . 2.2 m -77.48 136.61 38.36 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.27 -28.21 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.723 -1.235 . . . . 0.0 109.901 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 0.4 OUTLIER -70.1 -46.02 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 109.63 178.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.586 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.68 -35.57 67.7 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.813 -1.179 . . . . 0.0 109.588 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.593 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.56 -43.69 89.45 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.493 ' HG3' ' CG2' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.69 -30.37 70.6 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 177.454 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 6.8 t0 -68.38 -49.98 56.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.492 -0.755 . . . . 0.0 110.596 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -60.64 -43.45 97.55 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.527 -1.358 . . . . 0.0 109.216 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.69 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 10.4 mt -70.99 -33.08 70.06 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.863 -1.148 . . . . 0.0 110.375 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.0 -18.84 52.96 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' S' ' 21' ' ' ASN . 9.5 ttt180 -87.08 -6.24 58.76 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.375 -0.828 . . . . 0.0 110.27 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 2.6 t30 69.83 21.67 6.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' S' ' 17' ' ' LEU . 2.0 tm? -143.41 71.06 1.32 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.55 0.691 . . . . 0.0 109.352 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.512 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.9 OUTLIER -39.2 151.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.22 -0.925 . . . . 0.0 111.818 -178.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.631 ' HA ' ' CD ' ' S' ' 34' ' ' ARG . 34.5 m . . . . . 0 C--N 1.3 -1.576 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 1.1 tptm . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.71 -30.86 70.47 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.66 -34.34 77.99 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.567 HD12 ' CG2' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -66.49 -48.29 70.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.034 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.534 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -62.24 -44.97 99.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-O 121.526 0.679 . . . . 0.0 109.824 179.315 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 40.2 mt-30 -68.0 -41.27 82.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.469 -0.77 . . . . 0.0 110.95 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.631 ' CD ' ' HA ' ' S' ' 24' ' ' VAL . 2.3 ttm180 -64.59 -45.79 85.45 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.95 -1.094 . . . . 0.0 110.947 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.69 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 10.4 mt -72.33 -47.62 48.32 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.471 -1.291 . . . . 0.0 111.091 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 20.9 mt -70.26 -42.54 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 0.0 110.662 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.6 OUTLIER -70.46 -42.01 72.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.963 -1.086 . . . . 0.0 109.697 179.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 27.2 t0 -71.75 -40.73 69.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 26.6 t0 . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.251 -0.906 . . . . 0.0 110.417 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.561 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.242 0.544 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.62 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 9.3 m-85 -49.88 -29.48 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.807 -0.558 . . . . 0.0 111.383 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.4 OUTLIER -5.17 -62.23 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -152.64 50.72 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.003 -1.06 . . . . 0.0 111.66 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -72.06 166.9 21.32 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 118.034 -1.466 . . . . 0.0 108.346 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.534 ' O ' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.31 153.95 37.61 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.49 HG11 ' N ' ' S' ' 11' ' ' VAL . 4.8 p -48.77 -27.61 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 120.873 -1.142 . . . . 0.0 109.397 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.49 ' N ' HG11 ' S' ' 10' ' ' VAL . 5.2 t -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.488 -0.758 . . . . 0.0 110.285 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.612 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.49 -45.57 58.85 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 118.709 -1.196 . . . . 0.0 109.66 -179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.6 mp -56.54 -43.85 80.28 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.468 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 10.4 tttt -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.406 -0.809 . . . . 0.0 109.24 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -50.34 45.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 110.768 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.612 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -61.74 -45.41 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.665 -1.272 . . . . 0.0 109.912 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.676 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 6.5 mt -68.47 -33.8 74.81 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.212 -0.93 . . . . 0.0 110.206 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -59.45 -43.97 93.07 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -14.69 58.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.662 -0.649 . . . . 0.0 109.876 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.2 ttt180 -87.38 -0.71 57.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.212 -0.93 . . . . 0.0 110.363 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 13.2 t-20 66.81 22.67 10.21 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.623 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 3.2 tm? -148.89 86.56 1.51 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.537 ' O ' HD12 ' S' ' 22' ' ' LEU . 0.9 OUTLIER -50.07 -172.43 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.018 -1.051 . . . . 0.0 111.075 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.594 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.597 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.524 ' NZ ' HD12 ' S' ' 13' ' ' LEU . 5.2 tptp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.25 -41.71 98.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.633 -1.292 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.28 -41.0 75.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.367 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.575 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.12 -48.81 79.91 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 121.306 -0.871 . . . . 0.0 108.701 178.527 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.65 -44.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.534 -0.728 . . . . 0.0 109.407 179.137 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.1 OUTLIER -67.1 -36.12 81.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.366 -0.834 . . . . 0.0 110.77 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.594 ' HD3' HD12 ' S' ' 22' ' ' LEU . 8.1 ttm180 -68.16 -43.97 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.771 -1.206 . . . . 0.0 110.948 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.676 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 16.6 mt -70.32 -47.81 59.41 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.282 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 4.5 mt -70.55 -44.2 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.428 -0.795 . . . . 0.0 110.781 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.8 OUTLIER -68.41 -42.84 78.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.939 -1.1 . . . . 0.0 109.639 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 32.7 t70 -71.54 -35.64 70.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.78 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 6.7 t70 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.563 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.196 0.522 . . . . 0.0 110.23 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.654 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 11.4 m-85 -50.05 -32.71 16.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.689 -0.632 . . . . 0.0 111.428 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER 1.28 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-O 121.106 0.479 . . . . 0.0 112.172 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.581 ' N ' ' O ' ' S' ' 5' ' ' TYR . 26.8 t -151.36 53.91 0.85 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -0.981 . . . . 0.0 111.176 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.588 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -69.64 175.98 3.84 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.709 -1.244 . . . . 0.0 108.889 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.547 ' CG2' ' HB3' ' S' ' 12' ' ' GLN . 1.2 t -77.33 139.24 39.72 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 p -48.3 -32.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 120.724 -1.235 . . . . 0.0 110.919 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 3.7 p -66.5 -45.94 87.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.768 -1.208 . . . . 0.0 110.054 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.579 ' NE2' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -73.23 -33.68 65.47 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.744 -1.223 . . . . 0.0 109.395 179.234 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.582 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.07 -39.51 78.7 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.297 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.581 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 13.8 mtpt -70.88 -31.46 68.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.86 -49.76 71.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.156 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.581 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.37 -44.76 82.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.752 -1.218 . . . . 0.0 109.85 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.639 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.44 -37.94 89.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.841 -1.162 . . . . 0.0 109.31 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 21.3 m -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.041 -1.037 . . . . 0.0 108.69 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -78.16 -13.04 60.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.972 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 11.9 ttt-85 -88.2 8.04 29.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.947 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.6 OUTLIER 65.8 19.54 11.35 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -178.526 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.4 tm? -150.96 116.16 5.33 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.539 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.3 OUTLIER -85.13 174.11 9.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.345 -0.847 . . . . 0.0 112.103 -178.536 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.694 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.699 -0.626 . . . . 0.0 110.107 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.28 0.562 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -67.44 -43.75 80.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 109.215 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.22 -37.11 69.25 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.612 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.41 -47.6 81.3 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.478 ' O ' HG13 ' S' ' 36' ' ' ILE 0.258 1.0 OUTLIER -60.71 -45.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.683 0.754 . . . . 0.0 109.731 179.606 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 29.2 mt-30 -67.55 -35.5 79.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.694 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.57 -44.99 80.76 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.072 -1.017 . . . . 0.0 110.435 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.654 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 25.7 mt -69.64 -47.79 62.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 117.84 -1.544 . . . . 0.0 109.961 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.508 HG22 HD12 ' S' ' 36' ' ' ILE . 24.5 mt -69.16 -44.61 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 110.88 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -68.46 -40.56 80.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.747 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t0 -71.81 -47.32 54.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 110.363 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.2 t70 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 110.233 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.564 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.43 0.633 . . . . 0.0 110.253 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.65 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 7.3 m-85 -50.69 -26.46 5.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.736 -0.603 . . . . 0.0 111.407 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -11.22 -55.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.013 0.435 . . . . 0.0 112.142 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.589 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -154.43 48.8 0.6 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.876 -1.14 . . . . 0.0 111.814 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.61 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -70.86 166.14 21.74 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 117.864 -1.535 . . . . 0.0 108.319 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.502 ' O ' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.3 156.59 35.43 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.717 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 1.1 p -49.74 -28.32 3.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.72 -1.238 . . . . 0.0 109.355 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.41 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.8 t -66.45 -44.49 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 110.319 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.3 -44.92 62.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.89 -1.131 . . . . 0.0 109.795 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.602 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.2 mp -55.93 -43.78 77.73 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.806 -1.158 . . . . 0.0 108.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.533 ' O ' ' CG2' ' S' ' 18' ' ' THR . 0.0 OUTLIER -68.35 -32.9 73.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -0.797 . . . . 0.0 109.969 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.471 ' O ' ' OG1' ' S' ' 18' ' ' THR . 0.2 OUTLIER -67.19 -50.57 60.48 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.914 -1.116 . . . . 0.0 110.571 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.608 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -63.4 -44.38 94.84 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.706 -1.246 . . . . 0.0 109.626 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.67 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 6.4 mt -68.89 -33.78 74.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 110.676 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' S' ' 14' ' ' LYS . 4.5 p -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.832 -1.167 . . . . 0.0 108.399 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -78.78 -12.13 60.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 109.923 179.058 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.545 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 9.4 mtt-85 -87.08 4.1 43.48 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.236 -0.915 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 69.42 17.94 7.99 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.7 OUTLIER -149.95 114.6 5.28 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.505 ' O ' HD12 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -72.12 -167.66 0.33 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.181 -0.95 . . . . 0.0 110.769 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.625 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.721 0.772 . . . . 0.0 111.278 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 1.6 mmmm . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 120.78 0.324 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' S' ' 29' ' ' ASN . 1.5 m120 -65.75 -43.85 87.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.921 -1.112 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -56.31 -36.91 69.21 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.794 -1.162 . . . . 0.0 108.147 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -67.0 -48.29 68.88 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.424 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.18 -45.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.627 0.727 . . . . 0.0 109.385 179.435 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 27.2 mt-30 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.48 -0.762 . . . . 0.0 110.439 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.577 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 2.6 ttm105 -67.18 -43.97 80.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.875 -1.141 . . . . 0.0 110.784 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.67 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 22.3 mt -68.95 -47.75 64.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.813 -1.179 . . . . 0.0 110.29 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 3.5 mt -69.63 -39.43 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.969 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.2 OUTLIER -70.57 -41.26 72.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.979 . . . . 0.0 109.385 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 4.3 m-20 -71.59 -38.19 70.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.479 -0.763 . . . . 0.0 110.007 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 4.0 t70 . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 110.362 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.559 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.207 0.527 . . . . 0.0 110.555 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.639 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 9.9 m-85 -49.12 -29.09 4.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.635 -0.666 . . . . 0.0 111.52 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 43.1 m -3.81 -64.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.063 0.458 . . . . 0.0 112.102 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 45.5 m -153.17 56.17 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.111 -0.993 . . . . 0.0 111.011 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.592 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -74.47 173.38 10.41 Favored 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.409 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.54 ' O ' HD13 ' S' ' 13' ' ' LEU . 2.4 m -76.83 142.95 40.06 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 p -49.0 -37.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 120.724 -1.235 . . . . 0.0 110.523 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -65.1 -45.43 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.939 -1.1 . . . . 0.0 110.112 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.5 -35.23 68.08 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.83 -1.169 . . . . 0.0 110.063 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.573 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.7 -39.36 80.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.562 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -69.68 -30.66 68.38 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 6.6 t0 -65.79 -50.18 65.61 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -63.52 -45.17 91.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.771 -1.206 . . . . 0.0 109.622 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.732 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.0 mt -68.09 -33.76 75.12 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.933 -1.104 . . . . 0.0 110.153 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -59.43 -43.36 93.12 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -14.29 59.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.689 -0.632 . . . . 0.0 109.379 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.524 ' CD ' HD22 ' S' ' 17' ' ' LEU . 8.6 ttt-85 -87.39 0.38 55.56 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.413 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.83 23.3 11.41 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 3.3 tm? -150.83 91.18 1.69 Allowed 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.9 OUTLIER -52.53 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.557 -1.34 . . . . 0.0 110.855 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.592 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 110.753 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.424 0.63 . . . . 0.0 109.49 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -67.29 -43.63 81.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.989 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -55.38 -33.81 63.77 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.068 -1.02 . . . . 0.0 108.528 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' S' ' 31' ' ' LEU . 0.1 OUTLIER -70.2 -48.55 56.64 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.474 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.57 -45.33 86.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 179.014 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 82.7 mt-30 -67.45 -36.0 80.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.474 -0.766 . . . . 0.0 110.748 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.56 ' HD3' HD12 ' S' ' 22' ' ' LEU . 12.2 ttm180 -68.92 -43.89 74.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.821 -1.175 . . . . 0.0 111.141 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.732 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 16.7 mt -70.03 -47.2 63.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 109.892 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 21.9 mt -70.09 -42.7 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.841 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.17 -41.06 74.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.939 -1.1 . . . . 0.0 109.694 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 62.0 t0 -71.48 -41.18 69.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 110.021 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 9.3 t70 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.146 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.542 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 121.253 0.549 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.62 ' O ' ' N ' ' S' ' 7' ' ' SER . 5.8 m-85 -50.85 -32.94 21.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.546 -0.721 . . . . 0.0 111.078 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.568 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER 3.01 -68.79 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.13 0.49 . . . . 0.0 111.887 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.62 ' N ' ' O ' ' S' ' 5' ' ' TYR . 33.5 t -154.47 49.16 0.61 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.132 -0.98 . . . . 0.0 111.328 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -63.1 172.93 1.59 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.276 -1.515 . . . . 0.0 108.143 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.2 OUTLIER -74.56 155.11 38.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.537 HG21 ' HD2' ' S' ' 28' ' ' LYS . 5.0 t -51.29 -27.8 6.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.607 -1.308 . . . . 0.0 109.392 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.49 HG13 ' OE1' ' S' ' 12' ' ' GLN . 5.4 t -68.03 -44.93 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.454 -0.779 . . . . 0.0 110.599 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -71.94 -42.54 66.51 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 118.893 -1.123 . . . . 0.0 109.213 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.591 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 14.2 mt -56.84 -43.99 81.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.527 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 20.6 mmtt -68.65 -32.16 71.8 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.435 -0.79 . . . . 0.0 109.318 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -49.58 62.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.2 OUTLIER -64.58 -44.34 90.98 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.732 -1.23 . . . . 0.0 110.021 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.615 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -64.55 -34.77 79.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.916 -1.115 . . . . 0.0 109.606 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 17.6 m -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.149 -0.97 . . . . 0.0 108.492 178.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -14.42 59.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.525 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -88.2 10.96 17.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.264 -0.897 . . . . 0.0 110.275 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' S' ' 20' ' ' ARG . 57.6 m-80 60.29 20.87 10.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.8 tm? -148.87 113.18 5.25 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.528 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -83.42 173.77 11.23 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.431 -0.793 . . . . 0.0 112.318 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.671 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.684 -0.635 . . . . 0.0 109.865 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.548 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.175 0.512 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -63.77 -39.07 93.36 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.404 -1.435 . . . . 0.0 108.553 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.556 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.15 -47.27 86.97 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.547 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.85 -44.85 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 5.2 mm100 -66.34 -35.95 81.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 110.732 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.671 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -69.18 -44.65 71.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.615 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 35.1 mt -70.04 -49.1 54.63 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 118.667 -1.213 . . . . 0.0 111.088 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.547 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 3.0 mt -69.64 -38.1 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.403 -0.811 . . . . 0.0 110.398 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tttt -69.79 -37.88 76.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.006 -1.059 . . . . 0.0 108.766 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -72.27 -38.66 68.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.514 -0.741 . . . . 0.0 110.368 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.107 -0.996 . . . . 0.0 110.069 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.549 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.616 ' CD2' ' HB3' ' S' ' 35' ' ' LEU . 6.9 m-85 -50.37 -24.63 3.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.553 -0.717 . . . . 0.0 110.615 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.542 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER -10.75 -55.1 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.601 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.5 OUTLIER -153.91 44.29 0.57 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.741 -1.224 . . . . 0.0 112.491 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.619 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -77.96 157.55 29.67 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 117.439 -1.704 . . . . 0.0 107.946 177.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.462 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 16.1 p -75.64 162.87 27.88 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 118.781 -1.167 . . . . 0.0 108.01 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.473 ' HA ' HD11 ' S' ' 13' ' ' LEU . 3.3 m -50.4 -27.2 4.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 120.775 -1.203 . . . . 0.0 109.79 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -46.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.36 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.607 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.9 -44.25 61.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.756 -1.215 . . . . 0.0 108.72 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.596 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 9.9 mt -57.09 -40.9 77.9 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.542 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 72.8 tttt -69.18 -33.09 72.84 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.644 -0.66 . . . . 0.0 109.455 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -66.86 -50.04 63.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.982 . . . . 0.0 110.011 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.607 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -61.75 -45.01 95.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.947 -1.096 . . . . 0.0 109.851 179.503 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.694 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 5.0 mt -68.65 -33.72 74.48 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.946 -1.096 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -59.62 -43.42 93.82 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -78.98 -16.59 56.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.722 -0.611 . . . . 0.0 109.79 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.525 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 3.8 ttt-85 -87.5 -5.77 58.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.308 -0.87 . . . . 0.0 110.335 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 3.8 t30 69.75 22.87 5.9 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.616 HD11 ' CD2' ' S' ' 17' ' ' LEU . 2.5 tm? -146.03 80.79 1.58 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.528 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.6 OUTLIER -47.6 -176.85 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.406 -0.808 . . . . 0.0 112.182 -178.325 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.655 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.523 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.166 0.508 . . . . 0.0 110.489 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -63.19 -39.13 93.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.466 -1.396 . . . . 0.0 108.623 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.33 -39.48 72.89 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.598 ' O ' ' HG ' ' S' ' 35' ' ' LEU . 0.2 OUTLIER -61.13 -47.82 84.48 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.463 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -55.41 -43.21 70.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.659 178.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.9 mm-40 -67.45 -36.43 81.16 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.467 -0.771 . . . . 0.0 110.988 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.655 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 7.5 ttm180 -69.86 -44.44 69.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.755 -1.216 . . . . 0.0 111.178 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.694 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 13.7 mt -70.6 -47.85 58.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.004 -1.06 . . . . 0.0 110.684 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.465 ' HA ' ' OD1' ' S' ' 39' ' ' ASP . 39.8 mt -71.16 -39.77 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.478 -0.763 . . . . 0.0 110.667 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -70.3 -37.72 74.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.933 -1.104 . . . . 0.0 109.196 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 20.1 t0 -71.85 -45.05 62.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.435 -0.791 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 110.309 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.566 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.154 0.502 . . . . 0.0 110.637 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.61 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 9.4 m-85 -50.3 -29.01 8.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.623 -0.673 . . . . 0.0 111.443 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.576 ' C ' ' O ' ' S' ' 5' ' ' TYR . 1.0 OUTLIER -5.12 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.364 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.595 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -153.77 47.51 0.64 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.995 -1.066 . . . . 0.0 111.826 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -70.05 163.3 26.47 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 117.783 -1.567 . . . . 0.0 107.956 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.517 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 3.1 m -75.19 156.48 35.79 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.505 ' N ' HG21 ' S' ' 9' ' ' THR . 5.5 p -49.17 -27.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.655 -1.278 . . . . 0.0 109.603 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.457 ' HB ' HG23 ' S' ' 9' ' ' THR . 6.8 t -67.21 -44.09 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 0.0 110.247 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.28 -44.95 62.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.875 -1.141 . . . . 0.0 109.498 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.584 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.3 mp -56.22 -43.47 78.6 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.303 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.545 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 25.1 tttt -67.79 -32.01 72.29 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.502 -0.749 . . . . 0.0 109.727 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -68.48 -50.36 52.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 0.0 110.351 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.608 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -62.8 -44.94 94.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.814 -1.179 . . . . 0.0 109.928 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.662 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 6.1 mt -68.19 -34.08 75.61 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.285 -0.884 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 3.9 m -60.01 -45.37 93.0 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -78.97 -14.65 59.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.663 -0.648 . . . . 0.0 110.165 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 0.2 OUTLIER -87.59 -3.69 58.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.145 -0.972 . . . . 0.0 110.453 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 71.06 20.96 5.04 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.603 HD11 ' CD2' ' S' ' 17' ' ' LEU . 1.1 tm? -146.81 86.64 1.66 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.546 ' O ' HD12 ' S' ' 22' ' ' LEU . 0.9 OUTLIER -49.1 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.365 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.615 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.72 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' S' ' 8' ' ' LEU . 5.5 tptm . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 2.1 m-20 -66.87 -41.14 87.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' S' ' 30' ' ' GLU . 3.7 mm-40 -55.93 -37.37 68.85 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -65.5 -48.5 72.37 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.318 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.453 ' O ' HD13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -56.64 -44.02 80.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.233 178.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 56.9 mt-30 -67.33 -38.06 84.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.534 -0.729 . . . . 0.0 110.883 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 3.5 ttm180 -66.75 -44.32 81.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.663 -1.273 . . . . 0.0 110.974 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.662 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 14.8 mt -70.01 -48.14 59.29 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.877 -1.139 . . . . 0.0 110.496 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.453 HD13 ' O ' ' S' ' 32' ' ' VAL . 55.4 mt -70.97 -40.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.7 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 11.9 tmtt? -69.32 -41.15 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 109.22 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 13.5 m-20 -71.99 -36.39 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -0.838 . . . . 0.0 110.125 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 3.2 t0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 110.61 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.561 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.19 0.519 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.634 ' CG ' ' CB ' ' S' ' 35' ' ' LEU . 15.8 m-85 -50.17 -35.15 25.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.667 -0.646 . . . . 0.0 111.967 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.7 OUTLIER 4.95 -72.09 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.134 0.492 . . . . 0.0 112.076 -179.666 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -150.84 57.75 0.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.176 -0.952 . . . . 0.0 110.851 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.615 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -77.87 -177.26 4.84 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.771 -1.205 . . . . 0.0 109.192 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.574 ' O ' HD13 ' S' ' 13' ' ' LEU . 40.1 p -81.48 136.5 35.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.181 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -48.14 -30.52 2.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.327 -1.483 . . . . 0.0 109.876 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -47.15 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.184 -0.948 . . . . 0.0 109.925 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.56 ' OE1' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.95 -38.09 66.88 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.1 mp -57.37 -39.65 76.48 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.564 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.3 OUTLIER -67.27 -31.09 71.18 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 51.4 t0 -67.93 -49.85 59.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.262 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.591 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -60.76 -43.91 97.39 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.485 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.702 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 6.8 mt -70.09 -33.22 71.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.711 -1.243 . . . . 0.0 110.13 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.64 -41.8 86.84 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -17.17 56.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.8 ttt85 -86.8 -3.42 59.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.425 -0.797 . . . . 0.0 110.42 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 66.42 23.32 10.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' S' ' 17' ' ' LEU . 3.3 tm? -147.43 81.22 1.52 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.581 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.6 OUTLIER -45.61 177.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 111.038 -178.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.833 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.517 ' HE2' ' CD1' ' S' ' 13' ' ' LEU . 3.6 tptp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.84 0.352 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.42 -43.36 94.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.842 -1.161 . . . . 0.0 110.301 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -56.34 -38.24 71.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.84 -1.163 . . . . 0.0 108.552 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' S' ' 31' ' ' LEU . 0.1 OUTLIER -65.19 -47.19 77.82 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.6 OUTLIER -60.28 -44.48 95.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.575 0.703 . . . . 0.0 109.608 179.052 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 7.6 mt-30 -67.66 -42.73 81.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.467 -0.771 . . . . 0.0 111.119 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 6.2 ttm-85 -64.58 -44.48 90.53 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.881 -1.137 . . . . 0.0 111.102 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.702 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 11.9 mt -70.98 -46.78 61.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.691 -1.256 . . . . 0.0 110.52 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.457 HG13 ' O ' ' S' ' 32' ' ' VAL . 62.7 mt -69.47 -43.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 110.547 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -70.72 -42.85 70.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.055 -1.028 . . . . 0.0 109.96 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 9.9 t0 -71.46 -46.23 60.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 43.5 t0 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.559 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.231 0.539 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.654 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 10.7 m-85 -49.4 -26.92 3.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.768 -0.583 . . . . 0.0 111.476 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.577 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -5.86 -62.14 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-O 121.074 0.464 . . . . 0.0 112.164 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 3.8 m -153.95 52.46 0.69 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.099 -1.001 . . . . 0.0 111.126 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.581 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -70.82 171.48 10.53 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.558 -1.339 . . . . 0.0 108.776 178.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.538 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.3 t -76.4 140.43 41.35 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.442 HG21 HD13 ' S' ' 31' ' ' LEU . 3.2 p -48.04 -33.84 4.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.863 -1.148 . . . . 0.0 111.0 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 4.2 p -65.64 -45.57 91.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 120.831 -1.168 . . . . 0.0 110.042 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.549 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.69 -34.13 66.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 109.77 179.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.585 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.01 -40.18 80.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.326 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.568 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 14.2 mtmt -67.66 -32.68 73.53 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 9.4 t0 -65.55 -49.63 68.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 0.0 110.666 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -64.65 -44.88 89.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.643 -1.285 . . . . 0.0 109.781 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.737 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.5 mt -67.78 -34.63 77.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.894 -1.129 . . . . 0.0 110.013 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -59.89 -43.4 94.8 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -78.58 -13.54 59.78 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.589 -0.694 . . . . 0.0 109.532 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.526 ' CD ' HD22 ' S' ' 17' ' ' LEU . 18.7 ttt85 -87.2 7.93 26.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.376 -0.828 . . . . 0.0 110.265 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 8.9 t-20 64.36 19.42 11.79 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -178.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 2.7 tm? -151.19 123.12 8.13 Favored 'General case' 0 C--O 1.2 -1.503 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' S' ' 22' ' ' LEU . 0.8 OUTLIER -80.14 -168.1 1.54 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.691 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.603 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.295 -0.878 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.748 0.308 . . . . 0.0 111.261 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . 0.512 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.0 OUTLIER -62.34 -34.35 76.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.739 -1.225 . . . . 0.0 109.511 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.99 -38.3 85.77 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.578 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.03 -48.21 74.65 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.038 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.479 ' O ' HG13 ' S' ' 36' ' ' ILE 0.25 0.8 OUTLIER -59.36 -45.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.314 179.37 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.4 -35.67 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.537 -0.727 . . . . 0.0 110.518 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.585 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 5.6 ttm105 -68.32 -43.58 77.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.931 -1.106 . . . . 0.0 110.855 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.737 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 21.3 mt -69.13 -47.13 65.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.533 -1.354 . . . . 0.0 109.669 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.479 HG13 ' O ' ' S' ' 32' ' ' VAL . 34.4 mt -68.09 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 110.113 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.91 -44.96 65.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.181 -0.949 . . . . 0.0 109.968 179.233 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.473 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 16.8 t70 -68.19 -42.72 79.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.928 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 8.9 t70 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.36 -0.837 . . . . 0.0 110.221 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.57 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.089 0.471 . . . . 0.0 110.341 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.63 ' CD2' ' HB3' ' S' ' 35' ' ' LEU . 11.1 m-85 -49.7 -28.33 5.88 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.618 -0.676 . . . . 0.0 110.75 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.525 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -14.41 -50.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 75.8 m -151.17 43.56 0.78 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.332 -1.347 . . . . 0.0 113.109 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.64 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -83.65 158.77 21.74 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 117.412 -1.715 . . . . 0.0 108.281 177.779 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 2.5 p -75.47 162.18 28.56 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.292 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.45 ' HA ' HD13 ' S' ' 13' ' ' LEU . 7.7 p -50.75 -27.3 4.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 120.964 -1.085 . . . . 0.0 109.296 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.47 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 14.6 t -67.97 -45.13 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.592 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.9 OUTLIER -71.76 -44.96 63.15 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 118.493 -1.283 . . . . 0.0 109.497 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.631 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 3.5 mt -57.46 -43.67 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.567 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.53 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 3.0 tppp? -66.3 -33.14 75.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.387 -0.82 . . . . 0.0 109.215 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.473 ' O ' ' OG1' ' S' ' 18' ' ' THR . 0.1 OUTLIER -70.25 -49.12 53.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.343 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.62 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -59.89 -43.88 94.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 118.585 -1.246 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.677 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.6 mt -71.24 -34.04 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.544 -1.347 . . . . 0.0 110.966 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' S' ' 15' ' ' ASP . 0.7 OUTLIER -59.07 -40.47 85.31 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -79.2 -17.83 54.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.74 -0.6 . . . . 0.0 109.454 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 4.2 ttt180 -87.17 -4.4 59.11 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.86 . . . . 0.0 110.321 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 67.78 22.4 8.86 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 3.2 tm? -145.37 82.1 1.64 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.564 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.7 OUTLIER -45.08 176.48 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.218 -0.926 . . . . 0.0 111.247 -178.389 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.612 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.721 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.881 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.535 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 6.7 tptm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.368 0.604 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -66.09 -43.64 86.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.041 . . . . 0.0 109.775 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.72 -35.99 66.73 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.119 -0.988 . . . . 0.0 108.534 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' S' ' 31' ' ' LEU . 0.1 OUTLIER -66.23 -47.4 73.93 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.178 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.453 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -58.38 -43.94 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.562 0.696 . . . . 0.0 109.239 178.62 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.9 -43.67 78.75 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.462 -0.773 . . . . 0.0 111.402 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.588 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 5.5 ttm-85 -63.93 -44.08 93.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.809 -1.182 . . . . 0.0 110.913 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.677 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 12.7 mt -71.41 -47.33 56.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.12 -0.988 . . . . 0.0 110.691 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.453 HG13 ' O ' ' S' ' 32' ' ' VAL . 54.1 mt -69.57 -40.1 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.461 -0.774 . . . . 0.0 109.715 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 15.1 ttmt -70.73 -40.97 72.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 30.9 t0 -70.67 -43.5 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.297 -0.877 . . . . 0.0 109.825 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.7 t70 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.83 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.539 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.228 0.537 . . . . 0.0 110.592 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.651 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 10.8 m-85 -50.32 -29.86 10.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 0.0 111.416 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.8 OUTLIER 0.07 -67.15 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 121.068 0.461 . . . . 0.0 112.013 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.598 ' N ' ' O ' ' S' ' 5' ' ' TYR . 25.2 t -153.66 54.81 0.73 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.928 . . . . 0.0 111.004 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.607 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -71.85 177.05 4.46 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.636 -1.29 . . . . 0.0 109.265 179.239 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.552 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.5 t -81.67 143.91 31.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.46 HG11 ' N ' ' S' ' 11' ' ' VAL . 5.4 p -48.77 -34.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.706 -1.246 . . . . 0.0 110.966 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.525 ' CG1' HG22 ' S' ' 9' ' ' THR . 11.3 p -66.66 -45.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.771 -1.206 . . . . 0.0 110.344 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.565 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -73.22 -34.75 66.09 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.701 -1.25 . . . . 0.0 109.83 179.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.573 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.4 -39.66 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.333 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.567 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 4.3 ttmm -70.12 -30.63 67.87 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' S' ' 18' ' ' THR . 22.5 t0 -65.51 -49.43 69.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.931 . . . . 0.0 110.183 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.549 ' CD1' HD21 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.77 -44.59 89.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.703 -1.248 . . . . 0.0 109.697 179.487 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.725 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.6 mt -68.02 -36.64 80.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.943 -1.098 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' S' ' 15' ' ' ASP . 4.5 p -59.74 -42.09 92.4 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.71 -13.91 59.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.677 -0.639 . . . . 0.0 109.549 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.518 ' CD ' HD22 ' S' ' 17' ' ' LEU . 23.1 ttt85 -87.59 8.25 26.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.42 -0.8 . . . . 0.0 110.372 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.14 20.47 12.0 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.528 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 2.7 tm? -153.57 123.17 6.71 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.534 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.7 OUTLIER -80.43 -167.89 1.51 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.77 -1.206 . . . . 0.0 110.626 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.605 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 110.354 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 4.6 tptm . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.96 0.41 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -65.37 -42.27 92.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.797 -1.189 . . . . 0.0 110.038 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.36 -37.68 70.38 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.76 -1.176 . . . . 0.0 108.336 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.553 HD11 HG13 ' S' ' 24' ' ' VAL . 0.1 OUTLIER -64.26 -48.34 76.14 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.485 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.59 -45.79 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.545 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 2.8 mt-30 -67.03 -35.7 80.47 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.529 -0.732 . . . . 0.0 110.52 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.579 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 9.6 ttm180 -68.84 -44.0 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.001 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.725 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 23.3 mt -69.26 -47.23 65.26 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 118.098 -1.441 . . . . 0.0 109.807 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.508 HG22 HD12 ' S' ' 36' ' ' ILE . 21.4 mt -68.81 -43.06 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 119.474 -0.89 . . . . 0.0 110.245 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -71.34 -47.17 58.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.012 -1.055 . . . . 0.0 110.24 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 29.3 t0 -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.472 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 9.1 t0 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.258 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.541 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.312 0.577 . . . . 0.0 110.474 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.659 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 10.0 m-85 -49.38 -27.37 3.98 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.635 -0.666 . . . . 0.0 111.274 -178.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.2 -62.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 121.051 0.453 . . . . 0.0 112.124 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.579 ' N ' ' O ' ' S' ' 5' ' ' TYR . 8.7 m -153.31 54.5 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.12 -0.987 . . . . 0.0 111.1 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.597 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -73.03 174.98 7.1 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.657 -1.277 . . . . 0.0 109.043 179.165 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.563 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.2 t -81.6 143.75 31.73 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.514 HG11 ' N ' ' S' ' 11' ' ' VAL . 7.1 p -48.43 -35.78 6.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 120.785 -1.197 . . . . 0.0 111.088 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 2.6 p -66.23 -46.0 88.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 120.845 -1.16 . . . . 0.0 110.302 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.575 ' NE2' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.84 -34.8 67.02 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.604 -1.31 . . . . 0.0 109.881 179.771 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.581 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.57 -40.07 82.07 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.45 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.554 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 1.8 tttt -69.1 -30.99 69.4 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.523 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -65.5 -49.54 68.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 110.268 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.575 ' CD2' ' NE2' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -64.29 -45.15 89.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.654 -1.279 . . . . 0.0 109.757 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.718 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.4 mt -67.65 -34.41 76.9 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.803 -1.186 . . . . 0.0 109.966 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -78.44 -13.77 59.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.653 -0.654 . . . . 0.0 109.376 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 6.1 ttt85 -86.99 7.51 27.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.24 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 64.6 20.31 12.1 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -178.355 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.675 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 2.8 tm? -152.15 122.67 7.33 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.552 ' O ' ' CD1' ' S' ' 22' ' ' LEU . 0.8 OUTLIER -79.92 -167.49 1.29 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.682 -1.261 . . . . 0.0 110.608 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.602 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.52 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.989 0.423 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.95 -42.71 94.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.758 -1.213 . . . . 0.0 110.218 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.1 -38.92 71.39 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.418 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.56 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.58 -48.36 77.73 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.49 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.71 -45.63 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 109.822 179.255 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 5.8 mm100 -66.95 -36.76 82.94 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 110.617 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.59 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.02 -43.78 78.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 111.139 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.718 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 27.3 mt -68.82 -46.79 67.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.464 -1.397 . . . . 0.0 109.727 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.49 HG13 ' O ' ' S' ' 32' ' ' VAL . 34.6 mt -68.06 -39.49 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.15 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -71.53 -38.57 71.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.89 -1.131 . . . . 0.0 109.766 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 6.2 t0 -71.45 -43.63 66.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.586 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.05 -1.031 . . . . 0.0 110.129 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.578 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.117 0.484 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.631 ' CD2' ' HB3' ' S' ' 35' ' ' LEU . 8.5 m-85 -50.05 -26.27 4.21 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.516 -0.74 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.514 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -18.23 -46.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.03 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -151.55 40.58 0.68 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.431 -1.418 . . . . 0.0 113.325 -179.283 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.642 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -84.24 155.75 22.32 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 117.266 -1.773 . . . . 0.0 108.203 177.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.456 ' C ' HD13 ' S' ' 13' ' ' LEU . 16.4 p -75.45 162.38 28.4 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . 0.522 HG21 ' N ' ' S' ' 11' ' ' VAL . 34.4 m -50.34 -27.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.723 -1.236 . . . . 0.0 109.586 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.522 ' N ' HG21 ' S' ' 10' ' ' VAL . 17.2 t -66.31 -46.59 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 110.437 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -73.03 -43.99 61.37 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.581 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.618 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 12.0 mt -56.2 -43.15 78.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.536 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 8.6 tttt -69.32 -32.66 71.92 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.441 -0.787 . . . . 0.0 109.518 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -66.79 -50.19 63.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.028 -1.045 . . . . 0.0 109.94 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.605 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -61.58 -44.52 96.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.885 -1.134 . . . . 0.0 109.81 179.435 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.707 ' HB3' ' O ' ' S' ' 22' ' ' LEU . 8.6 mt -68.9 -33.93 74.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.887 -1.133 . . . . 0.0 110.438 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -59.76 -43.65 94.2 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -15.44 57.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.689 -0.632 . . . . 0.0 110.158 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 1.8 ttt-85 -87.3 -0.01 56.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.14 -0.975 . . . . 0.0 110.664 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.9 t30 69.35 20.73 7.25 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -147.63 96.22 2.64 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.7 OUTLIER -54.37 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.699 -1.251 . . . . 0.0 110.756 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.62 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.452 -0.78 . . . . 0.0 110.93 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 120.823 0.344 . . . . 0.0 111.333 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.06 -42.86 96.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.737 -1.227 . . . . 0.0 109.789 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.27 -37.2 69.49 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.339 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -63.98 -48.11 77.74 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.529 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.28 -44.13 83.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.448 -0.782 . . . . 0.0 109.341 178.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 46.5 mt-30 -67.18 -44.08 80.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.448 -0.783 . . . . 0.0 111.066 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.551 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 4.0 ttm-85 -61.9 -44.59 96.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.931 -1.106 . . . . 0.0 111.289 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.663 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 15.4 mt -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.975 -1.078 . . . . 0.0 111.036 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 22.9 mt -70.07 -37.11 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.421 -0.799 . . . . 0.0 110.174 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 8.2 mmmt -70.9 -40.48 72.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.023 -1.048 . . . . 0.0 108.882 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 0.8 OUTLIER -71.69 -37.39 70.71 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.511 -0.743 . . . . 0.0 109.983 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.448 -0.782 . . . . 0.0 110.258 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.55 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.214 0.53 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.667 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 11.7 m-85 -49.52 -29.89 7.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.599 -0.688 . . . . 0.0 111.13 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.575 ' C ' ' O ' ' S' ' 5' ' ' TYR . 3.3 p -0.83 -66.89 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.181 0.515 . . . . 0.0 112.072 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.583 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER -152.47 54.78 0.8 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 110.971 179.49 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.595 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -72.02 177.86 4.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.733 -1.229 . . . . 0.0 109.217 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.566 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.5 t -82.03 142.89 31.96 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.5 -34.15 5.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.781 -1.199 . . . . 0.0 110.984 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.529 ' CG1' HG22 ' S' ' 9' ' ' THR . 12.4 p -66.89 -45.98 86.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.748 -1.22 . . . . 0.0 110.378 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.571 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -73.5 -35.02 65.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.686 -1.259 . . . . 0.0 110.013 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.571 ' N ' ' HG3' ' S' ' 12' ' ' GLN . 0.4 OUTLIER -58.98 -40.31 84.44 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 177.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.574 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.2 tttt -69.78 -31.35 69.23 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' S' ' 18' ' ' THR . 46.9 t0 -64.49 -49.44 71.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 110.249 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.581 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.16 -44.41 84.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.777 -1.202 . . . . 0.0 109.988 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.645 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.44 -37.83 86.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.658 -1.276 . . . . 0.0 109.907 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' S' ' 14' ' ' LYS . 11.6 p -61.37 -42.53 98.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 108.391 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -78.51 -14.59 59.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.592 -0.692 . . . . 0.0 109.956 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 25.6 ttt85 -87.89 8.55 25.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 52.4 t30 66.0 21.84 11.26 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.587 ' CD1' HD11 ' S' ' 17' ' ' LEU . 2.4 tm? -153.79 114.43 4.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -81.34 171.66 14.52 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.259 -0.901 . . . . 0.0 111.743 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.655 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.391 -0.818 . . . . 0.0 111.619 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.508 ' NZ ' ' HA ' ' S' ' 28' ' ' LYS . 3.0 tptp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -63.75 -41.08 98.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.685 -1.259 . . . . 0.0 109.812 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.41 -38.03 70.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.696 -1.253 . . . . 0.0 108.247 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.596 ' HA ' ' CG1' ' S' ' 24' ' ' VAL . 0.3 OUTLIER -65.71 -47.71 74.45 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.796 0.808 . . . . 0.0 109.727 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.477 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.216 179.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 44.7 mt-30 -67.64 -39.37 84.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.302 -0.874 . . . . 0.0 110.622 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.655 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -65.34 -45.34 84.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.939 -1.1 . . . . 0.0 110.605 -179.289 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.667 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 43.6 mt -69.46 -46.99 65.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.911 -1.516 . . . . 0.0 110.437 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.477 HG13 ' O ' ' S' ' 32' ' ' VAL . 48.7 mt -69.5 -42.93 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 110.796 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 1.6 mtpm? -70.07 -41.45 74.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.912 -1.118 . . . . 0.0 109.613 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 34.7 t70 -71.94 -41.92 67.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.488 -0.758 . . . . 0.0 110.295 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 15.1 t0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.306 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 4' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.296 0.57 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 5' ' ' TYR . . . . . 0.651 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 11.6 m-85 -49.97 -28.4 6.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.763 -0.585 . . . . 0.0 111.837 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 6' ' ' SER . . . . . 0.567 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.83 -61.49 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 95.3 p -153.51 55.73 0.75 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.97 -1.082 . . . . 0.0 111.352 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 8' ' ' LEU . . . . . 0.607 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -74.19 177.28 5.89 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.593 -1.317 . . . . 0.0 109.237 179.068 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 9' ' ' THR . . . . . 0.553 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.7 t -82.49 146.35 29.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.992 -1.068 . . . . 0.0 108.335 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -48.93 -37.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 120.786 -1.197 . . . . 0.0 111.119 -178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 11' ' ' VAL . . . . . 0.528 ' CG1' HG22 ' S' ' 9' ' ' THR . 10.7 p -65.52 -46.2 90.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.818 -1.176 . . . . 0.0 110.645 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 12' ' ' GLN . . . . . 0.56 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -73.06 -35.04 66.62 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.717 -1.24 . . . . 0.0 110.09 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 13' ' ' LEU . . . . . 0.588 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.64 -39.5 80.72 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.483 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.7 tttt -69.96 -30.77 68.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.8 -49.71 69.6 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.203 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 16' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -65.49 -45.24 84.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.767 -1.208 . . . . 0.0 109.914 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 17' ' ' LEU . . . . . 0.728 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.4 mt -67.54 -34.66 77.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.109 . . . . 0.0 110.076 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 18' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 13.7 m -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -13.82 59.65 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 120.204 -0.599 . . . . 0.0 109.424 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 12.1 ttt-85 -87.4 7.76 27.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.392 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 21' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t30 64.7 18.66 11.53 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 22' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 2.8 tm? -150.18 120.14 7.16 Favored 'General case' 0 C--O 1.201 -1.469 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 23' ' ' SER . . . . . 0.552 ' O ' ' CD1' ' S' ' 22' ' ' LEU . 0.9 OUTLIER -77.78 -166.98 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.733 -1.229 . . . . 0.0 110.567 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 24' ' ' VAL . . . . . 0.604 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 110.413 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 5.8 tptp . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 29' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.4 m-20 -61.33 -36.71 80.9 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.251 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.36 -41.23 88.77 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.224 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 31' ' ' LEU . . . . . 0.559 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.07 -48.43 78.69 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.414 -0.804 . . . . 0.0 109.156 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 32' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.23 -45.84 95.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 109.716 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.3 mt-30 -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 110.316 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 34' ' ' ARG . . . . . 0.589 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.88 -43.91 74.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.936 -1.103 . . . . 0.0 111.107 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 35' ' ' LEU . . . . . 0.728 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 25.4 mt -69.38 -47.61 63.74 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.374 -1.454 . . . . 0.0 109.76 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 5.1 mt -68.13 -42.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 110.281 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tptp -71.05 -46.53 61.81 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.031 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t70 -69.09 -35.73 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.177 -0.952 . . . . 0.0 110.381 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 39' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 13.9 t70 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.241 -0.912 . . . . 0.0 110.41 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 2' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' S' ' 3' ' ' ALA . 1.1 p -151.48 -52.25 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.22 -1.165 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . 0.439 ' N ' ' OG ' ' S' ' 2' ' ' SER . . . 49.26 -178.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.925 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.564 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.5 OUTLIER -121.11 -95.69 0.48 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.276 -0.89 . . . . 0.0 110.518 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.633 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 6.0 m-85 -50.43 -30.45 12.54 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.791 -0.568 . . . . 0.0 111.471 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.569 ' C ' ' O ' ' S' ' 5' ' ' TYR . 1.0 OUTLIER -3.11 -64.38 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 9.6 m -153.19 48.15 0.7 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.019 -1.051 . . . . 0.0 111.415 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -63.51 170.75 2.94 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 118.071 -1.452 . . . . 0.0 108.187 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.505 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -75.29 153.29 38.01 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.24 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.468 ' HA ' HD11 ' S' ' 13' ' ' LEU . 0.4 OUTLIER -48.57 -27.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.663 -1.273 . . . . 0.0 109.334 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.468 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 3.5 t -66.95 -43.94 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 110.167 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.594 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.27 -44.71 62.41 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.853 -1.154 . . . . 0.0 109.676 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.601 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.4 mp -55.99 -43.77 77.96 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.381 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 4.6 tttt -68.78 -31.29 70.2 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.486 -0.759 . . . . 0.0 109.586 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 2.0 t70 -69.73 -49.92 48.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.2 OUTLIER -66.51 -44.17 83.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.775 -1.203 . . . . 0.0 110.248 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.613 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.0 -37.99 89.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.987 -1.07 . . . . 0.0 109.556 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 14.0 m -61.54 -44.38 97.15 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.219 -0.926 . . . . 0.0 108.782 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -13.58 59.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.455 -0.778 . . . . 0.0 110.069 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.8 mtt-85 -88.24 8.69 26.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.92 . . . . 0.0 110.239 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.0 OUTLIER 64.25 18.02 11.05 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.162 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.609 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.7 tm? -147.14 112.01 5.38 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.512 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.3 OUTLIER -82.64 175.0 10.5 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.302 -0.874 . . . . 0.0 112.046 -178.387 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.693 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.0 OUTLIER -110.92 112.0 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.657 -0.652 . . . . 0.0 110.123 179.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.52 116.48 5.22 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . 0.495 ' HA2' ' HB3' ' S' ' 30' ' ' GLU . . . 140.75 175.86 14.91 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 121.137 -1.214 . . . . 0.0 110.283 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.525 ' CD2' ' HG3' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -66.0 179.83 0.85 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.431 -1.041 . . . . 0.0 110.623 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 0.0 OUTLIER -51.72 -46.97 64.16 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 110.368 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.459 ' OD1' HD13 ' S' ' 27' ' ' LEU . 3.4 m120 -64.32 -40.28 95.59 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.686 -1.259 . . . . 0.0 108.935 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.525 ' HG3' ' CD2' ' S' ' 27' ' ' LEU . 16.9 mm-40 -58.88 -39.75 82.37 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.607 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -60.77 -47.79 84.74 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.533 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.8 OUTLIER -59.18 -44.68 92.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.655 0.74 . . . . 0.0 109.407 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 25.0 mt-30 -66.91 -36.52 82.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.467 -0.771 . . . . 0.0 110.391 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.693 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -65.42 -43.95 88.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.094 . . . . 0.0 109.936 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.633 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 42.8 mt -68.76 -48.52 63.51 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.575 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.533 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.97 -45.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.494 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -62.41 -43.9 97.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 109.244 179.265 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 21.8 t70 -71.48 -35.64 70.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.711 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.8 t70 -72.63 -44.2 62.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.498 -0.751 . . . . 0.0 110.461 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -62.39 -43.42 98.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.056 -1.027 . . . . 0.0 110.224 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.08 -60.92 2.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 110.242 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 102.03 0.71 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.893 . . . . 0.0 110.283 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -178.74 105.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.258 -0.901 . . . . 0.0 110.239 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -116.21 -34.82 4.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.332 -1.099 . . . . 0.0 110.166 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.3 98.07 3.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.286 -0.884 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.552 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -128.84 -95.46 0.41 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.656 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.655 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 11.9 m-85 -49.65 -32.07 12.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.628 -0.67 . . . . 0.0 111.468 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 13.9 t 1.99 -70.08 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 CA-C-O 121.23 0.538 . . . . 0.0 112.117 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.574 ' N ' ' O ' ' S' ' 5' ' ' TYR . 10.4 t -151.92 56.84 0.85 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.213 -0.929 . . . . 0.0 110.68 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -72.0 175.19 6.11 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.73 -1.231 . . . . 0.0 109.371 179.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.542 ' O ' HD13 ' S' ' 13' ' ' LEU . 2.3 m -77.04 142.48 39.85 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.465 HG21 ' HD2' ' S' ' 28' ' ' LYS . 16.0 t -49.01 -36.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.758 -1.214 . . . . 0.0 110.365 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -64.84 -45.9 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.095 . . . . 0.0 110.117 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.562 ' NE2' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.92 -34.91 66.89 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.804 -1.185 . . . . 0.0 110.152 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.583 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.34 -39.61 79.94 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.44 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.57 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 5.0 mtpt -70.46 -30.8 67.72 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.47 -49.8 70.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.581 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.76 -44.73 80.66 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.795 -1.191 . . . . 0.0 109.818 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.64 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.1 -37.4 87.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.902 -1.124 . . . . 0.0 109.332 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 8.5 m -61.37 -43.72 98.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.199 -0.938 . . . . 0.0 108.849 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -78.0 -14.16 59.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.563 -0.711 . . . . 0.0 109.84 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 5.1 mtt-85 -87.9 7.87 28.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.321 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.8 OUTLIER 64.93 19.23 11.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.7 tm? -148.94 113.39 5.29 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.543 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.88 174.89 10.0 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.238 -0.914 . . . . 0.0 112.231 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.679 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -112.15 99.12 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.791 -0.568 . . . . 0.0 110.019 179.655 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.37 128.61 9.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . 0.533 ' HA2' ' CB ' ' S' ' 30' ' ' GLU . . . 135.16 -170.88 22.73 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 0.8 OUTLIER -78.71 179.45 7.16 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.395 -1.062 . . . . 0.0 109.867 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 0.0 OUTLIER -51.7 -43.55 62.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.086 -1.009 . . . . 0.0 109.494 179.523 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -63.56 -41.5 98.42 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.72 -1.238 . . . . 0.0 108.637 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.533 ' CB ' ' HA2' ' S' ' 26' ' ' GLY . 70.1 mm-40 -56.67 -36.78 69.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.591 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.93 -47.67 79.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.5 OUTLIER -59.83 -45.26 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-O 121.63 0.728 . . . . 0.0 109.845 178.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 23.3 mt-30 -67.05 -35.7 80.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.679 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -68.71 -45.21 72.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.895 -1.128 . . . . 0.0 110.749 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.655 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 20.7 mt -69.44 -47.22 64.75 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 117.841 -1.544 . . . . 0.0 109.799 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 61.1 mt -70.5 -45.16 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.625 -0.672 . . . . 0.0 111.113 -178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -69.1 -40.63 78.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.915 -1.115 . . . . 0.0 109.72 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 36.0 t70 -71.58 -42.93 67.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 110.119 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.3 t70 -71.37 -31.46 67.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -56.22 -34.12 66.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.925 . . . . 0.0 110.336 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' S' ' 40' ' ' GLU . 34.3 tt0 42.69 73.97 0.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.938 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -71.05 63.42 0.32 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.918 . . . . 0.0 110.361 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.97 151.39 30.24 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 110.199 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' S' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 2' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' S' ' 1' ' ' GLY . 0.4 OUTLIER 64.95 179.71 0.18 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.218 -1.166 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.71 122.45 16.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.568 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.6 OUTLIER -128.35 -95.38 0.42 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.624 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.3 m-85 -50.03 -29.87 9.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.8 -0.562 . . . . 0.0 111.137 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 9.9 t -6.55 -60.58 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.59 ' N ' ' O ' ' S' ' 5' ' ' TYR . 19.3 m -152.96 49.67 0.73 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.062 -1.055 . . . . 0.0 111.735 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.614 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -69.71 169.05 13.64 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 117.894 -1.523 . . . . 0.0 108.424 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.507 ' O ' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.31 156.61 35.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.422 ' HA ' HD11 ' S' ' 13' ' ' LEU . 2.5 p -49.62 -28.13 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.629 -1.294 . . . . 0.0 109.602 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.466 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.1 t -67.11 -43.98 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 110.334 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.4 OUTLIER -72.21 -45.04 61.95 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.865 -1.147 . . . . 0.0 109.62 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.602 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.5 mp -56.02 -43.79 78.09 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.853 -1.139 . . . . 0.0 108.372 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.525 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.2 tttt -69.31 -31.36 69.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.453 -0.779 . . . . 0.0 109.897 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 0.3 OUTLIER -70.07 -50.38 41.55 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.988 . . . . 0.0 110.607 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.613 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.2 OUTLIER -65.58 -43.94 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.831 -1.168 . . . . 0.0 110.131 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.612 ' CD1' ' CD1' ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.05 -39.01 93.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.931 -1.106 . . . . 0.0 109.626 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.7 m -60.94 -43.98 97.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.081 -1.012 . . . . 0.0 108.831 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.05 -13.98 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.192 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.9 mtt-85 -88.46 9.39 23.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.17 -0.956 . . . . 0.0 110.266 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.4 OUTLIER 64.03 18.55 11.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -178.2 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.612 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.7 tm? -147.7 112.74 5.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.517 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.11 174.93 10.38 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.384 -0.823 . . . . 0.0 112.125 -178.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.672 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -111.23 106.93 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.661 -0.649 . . . . 0.0 110.12 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.99 115.95 5.33 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' S' ' 30' ' ' GLU . . . 143.96 176.99 18.48 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.523 ' N ' ' HB2' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -66.7 179.14 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.465 -1.021 . . . . 0.0 110.683 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 3.9 tptp -52.06 -47.66 65.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 110.88 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.487 ' ND2' ' N ' ' S' ' 29' ' ' ASN . 1.6 m120 -64.53 -37.19 86.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.524 -1.36 . . . . 0.0 108.659 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.523 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 27.6 mm-40 -59.87 -38.23 81.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.59 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.39 -48.21 82.26 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.527 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.77 -44.61 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 121.554 0.692 . . . . 0.0 109.843 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 77.8 mt-30 -66.08 -35.9 81.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.347 -0.846 . . . . 0.0 110.272 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.672 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.43 -43.8 84.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.045 -1.034 . . . . 0.0 110.047 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.624 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 38.8 mt -68.55 -48.29 64.67 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 118.308 -1.357 . . . . 0.0 110.38 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.63 -44.52 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.476 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -66.19 -45.05 82.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.012 -1.055 . . . . 0.0 109.587 179.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 30.8 t0 -71.67 -38.65 70.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 6.2 t70 -64.88 -27.81 69.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.0 110.131 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' S' ' 41' ' ' GLU . 3.8 tp10 -73.49 -30.15 62.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -0.93 . . . . 0.0 110.193 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER 65.31 96.68 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.917 . . . . 0.0 110.094 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.46 -21.12 5.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 110.548 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -105.13 -20.49 13.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.11 -0.993 . . . . 0.0 110.257 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -156.29 122.8 5.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -1.11 . . . . 0.0 110.265 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.39 95.17 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.289 -0.882 . . . . 0.0 110.237 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.561 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.7 OUTLIER -124.6 -94.87 0.47 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.212 -0.93 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.647 ' CG ' ' CB ' ' S' ' 35' ' ' LEU . 13.6 m-85 -49.96 -34.15 19.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 111.284 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.574 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER 4.12 -70.92 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 CA-C-O 121.201 0.524 . . . . 0.0 112.1 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.593 ' N ' ' O ' ' S' ' 5' ' ' TYR . 2.4 t -151.9 55.9 0.84 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.151 -0.968 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.584 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -74.04 177.08 5.93 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.723 -1.236 . . . . 0.0 109.454 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.587 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.4 t -77.77 140.46 39.46 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.493 HG21 ' HD2' ' S' ' 28' ' ' LYS . 9.7 t -48.79 -34.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.687 -1.258 . . . . 0.0 110.739 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 4.3 p -64.82 -45.72 94.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 120.937 -1.102 . . . . 0.0 110.416 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.595 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -73.25 -36.77 66.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.631 -1.293 . . . . 0.0 110.395 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.618 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.6 OUTLIER -58.07 -39.65 79.02 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.567 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -68.59 -30.49 69.26 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 26.3 t0 -68.18 -49.62 59.7 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -62.18 -44.03 97.51 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.598 -1.314 . . . . 0.0 109.488 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.72 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 8.0 mt -70.11 -33.65 72.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.746 -1.221 . . . . 0.0 110.157 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 3.3 m -59.09 -41.88 89.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -16.56 57.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.703 -0.623 . . . . 0.0 109.358 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' S' ' 21' ' ' ASN . 6.1 ttt180 -86.95 -0.22 56.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.7 OUTLIER 67.82 22.13 8.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.028 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.6 OUTLIER -149.37 94.29 2.19 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.3 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.533 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.9 OUTLIER -53.0 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.613 -1.304 . . . . 0.0 110.856 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.614 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -111.64 155.79 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 110.819 -179.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -37.94 -97.05 0.01 OUTLIER Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.68 -85.31 0.05 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.524 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.23 166.38 4.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.126 -1.22 . . . . 0.0 110.658 -179.287 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.493 ' HD2' HG21 ' S' ' 10' ' ' VAL . 0.0 OUTLIER -51.71 -46.99 64.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.325 -0.859 . . . . 0.0 111.103 -179.142 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.453 ' HB2' HD13 ' S' ' 27' ' ' LEU . 5.5 m120 -62.95 -43.65 98.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.658 -1.276 . . . . 0.0 109.882 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.524 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 11.2 mm-40 -56.31 -38.99 72.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.503 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' S' ' 31' ' ' LEU . 0.1 OUTLIER -61.56 -46.84 88.2 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.5 OUTLIER -59.17 -44.25 91.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.622 -0.673 . . . . 0.0 109.331 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.9 OUTLIER -67.86 -37.26 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.481 -0.762 . . . . 0.0 111.153 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.549 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 6.9 ttm180 -69.93 -44.65 69.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.847 -1.158 . . . . 0.0 110.867 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.72 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 11.8 mt -71.52 -46.69 58.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.025 -1.047 . . . . 0.0 110.582 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' S' ' 32' ' ' VAL . 55.4 mt -68.63 -41.27 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.775 . . . . 0.0 110.059 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 47.7 tttm -70.79 -39.2 73.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.212 -0.93 . . . . 0.0 109.684 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 2.6 m-20 -71.64 -47.29 55.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.5 OUTLIER -66.86 -27.51 67.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -73.26 -34.89 66.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.04 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -89.5 -9.89 48.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -98.57 78.2 2.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 0.0 110.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.37 -69.99 0.14 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.273 -0.892 . . . . 0.0 110.151 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' S' ' 3' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 2' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' S' ' 3' ' ' ALA . 19.4 m 52.76 -88.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -1.158 . . . . 0.0 110.076 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' S' ' 1' ' ' GLY . . . 59.74 13.23 3.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.443 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.564 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.8 OUTLIER -124.28 -95.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.129 -0.982 . . . . 0.0 110.502 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.634 ' CG ' ' CB ' ' S' ' 35' ' ' LEU . 13.5 m-85 -51.05 -35.87 36.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.617 -0.677 . . . . 0.0 111.659 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.581 ' C ' ' O ' ' S' ' 5' ' ' TYR . 8.2 m 8.07 -74.97 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.231 0.538 . . . . 0.0 111.836 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.585 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -152.32 55.49 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.259 -0.901 . . . . 0.0 110.713 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.577 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -70.51 179.38 2.55 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.472 179.462 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.552 ' O ' HD13 ' S' ' 13' ' ' LEU . 2.2 m -77.48 136.61 38.36 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.27 -28.21 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.723 -1.235 . . . . 0.0 109.901 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 0.4 OUTLIER -70.1 -46.02 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 109.63 178.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.586 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.68 -35.57 67.7 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.813 -1.179 . . . . 0.0 109.588 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.593 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.56 -43.69 89.45 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.493 ' HG3' ' CG2' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.69 -30.37 70.6 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 177.454 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 6.8 t0 -68.38 -49.98 56.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.492 -0.755 . . . . 0.0 110.596 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -60.64 -43.45 97.55 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.527 -1.358 . . . . 0.0 109.216 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.69 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 10.4 mt -70.99 -33.08 70.06 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.863 -1.148 . . . . 0.0 110.375 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.0 -18.84 52.96 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' S' ' 21' ' ' ASN . 9.5 ttt180 -87.08 -6.24 58.76 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.375 -0.828 . . . . 0.0 110.27 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 2.6 t30 69.83 21.67 6.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' S' ' 17' ' ' LEU . 2.0 tm? -143.41 71.06 1.32 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.55 0.691 . . . . 0.0 109.352 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.512 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.9 OUTLIER -39.2 151.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.22 -0.925 . . . . 0.0 111.818 -178.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.631 ' HA ' ' CD ' ' S' ' 34' ' ' ARG . 34.5 m -70.43 158.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.289 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.512 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -57.53 -127.75 0.01 OUTLIER Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -124.31 -65.87 0.2 Allowed Glycine 0 N--CA 1.492 2.431 0 O-C-N 120.736 -1.45 . . . . 0.0 110.273 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.596 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 1.7 mm? -61.87 156.92 19.51 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.138 -1.213 . . . . 0.0 110.952 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 1.1 tptm -57.58 -39.03 75.87 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.71 -30.86 70.47 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' S' ' 27' ' ' LEU . 5.3 mm-40 -65.66 -34.34 77.99 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.567 HD12 ' CG2' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -66.49 -48.29 70.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.034 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.534 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -62.24 -44.97 99.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-O 121.526 0.679 . . . . 0.0 109.824 179.315 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 40.2 mt-30 -68.0 -41.27 82.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.469 -0.77 . . . . 0.0 110.95 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.631 ' CD ' ' HA ' ' S' ' 24' ' ' VAL . 2.3 ttm180 -64.59 -45.79 85.45 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.95 -1.094 . . . . 0.0 110.947 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.69 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 10.4 mt -72.33 -47.62 48.32 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.471 -1.291 . . . . 0.0 111.091 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 20.9 mt -70.26 -42.54 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 0.0 110.662 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.6 OUTLIER -70.46 -42.01 72.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.963 -1.086 . . . . 0.0 109.697 179.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 27.2 t0 -71.75 -40.73 69.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 26.6 t0 -73.42 -40.94 63.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.251 -0.906 . . . . 0.0 110.417 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.7 OUTLIER -55.49 -33.94 64.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.954 . . . . 0.0 110.155 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.31 -171.91 1.99 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.199 -0.938 . . . . 0.0 110.158 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.16 45.51 2.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.43 111.09 21.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.205 -0.934 . . . . 0.0 110.238 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' S' S ' 2' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' S' ' 3' ' ' ALA . 0.8 OUTLIER -167.96 -58.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 0.0 110.103 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . 0.504 ' N ' ' OG ' ' S' ' 2' ' ' SER . . . 172.46 159.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.954 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.561 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -118.02 -94.97 0.49 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.36 -0.838 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.62 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 9.3 m-85 -49.88 -29.48 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.807 -0.558 . . . . 0.0 111.383 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.4 OUTLIER -5.17 -62.23 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -152.64 50.72 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.003 -1.06 . . . . 0.0 111.66 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -72.06 166.9 21.32 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 118.034 -1.466 . . . . 0.0 108.346 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.534 ' O ' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.31 153.95 37.61 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.49 HG11 ' N ' ' S' ' 11' ' ' VAL . 4.8 p -48.77 -27.61 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 120.873 -1.142 . . . . 0.0 109.397 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.49 ' N ' HG11 ' S' ' 10' ' ' VAL . 5.2 t -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.488 -0.758 . . . . 0.0 110.285 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.612 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.49 -45.57 58.85 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 118.709 -1.196 . . . . 0.0 109.66 -179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.6 mp -56.54 -43.85 80.28 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.468 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 10.4 tttt -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.406 -0.809 . . . . 0.0 109.24 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -50.34 45.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 110.768 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.612 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -61.74 -45.41 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.665 -1.272 . . . . 0.0 109.912 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.676 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 6.5 mt -68.47 -33.8 74.81 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.212 -0.93 . . . . 0.0 110.206 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -59.45 -43.97 93.07 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -14.69 58.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.662 -0.649 . . . . 0.0 109.876 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.2 ttt180 -87.38 -0.71 57.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.212 -0.93 . . . . 0.0 110.363 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 13.2 t-20 66.81 22.67 10.21 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.623 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 3.2 tm? -148.89 86.56 1.51 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.537 ' O ' HD12 ' S' ' 22' ' ' LEU . 0.9 OUTLIER -50.07 -172.43 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.018 -1.051 . . . . 0.0 111.075 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.594 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.28 158.57 10.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.597 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -44.73 -108.27 0.01 OUTLIER Glycine 0 N--CA 1.498 2.787 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.03 -82.79 0.06 OUTLIER Glycine 0 N--CA 1.492 2.389 0 O-C-N 121.103 -1.234 . . . . 0.0 110.242 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.531 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.41 164.41 7.34 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.052 -1.263 . . . . 0.0 110.507 -179.146 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.524 ' NZ ' HD12 ' S' ' 13' ' ' LEU . 5.2 tptp -52.14 -47.24 65.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.444 -0.785 . . . . 0.0 111.096 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.25 -41.71 98.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.633 -1.292 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.531 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 5.6 mm-40 -56.28 -41.0 75.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.367 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.575 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.12 -48.81 79.91 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 121.306 -0.871 . . . . 0.0 108.701 178.527 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.65 -44.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.534 -0.728 . . . . 0.0 109.407 179.137 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.1 OUTLIER -67.1 -36.12 81.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.366 -0.834 . . . . 0.0 110.77 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.594 ' HD3' HD12 ' S' ' 22' ' ' LEU . 8.1 ttm180 -68.16 -43.97 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.771 -1.206 . . . . 0.0 110.948 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.676 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 16.6 mt -70.32 -47.81 59.41 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.282 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 4.5 mt -70.55 -44.2 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.428 -0.795 . . . . 0.0 110.781 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.8 OUTLIER -68.41 -42.84 78.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.939 -1.1 . . . . 0.0 109.639 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 32.7 t70 -71.54 -35.64 70.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.78 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 6.7 t70 -71.36 -33.98 70.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.4 OUTLIER -65.03 -31.56 72.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.187 -0.946 . . . . 0.0 110.119 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.46 156.25 16.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 16.6 m 55.91 -177.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 110.218 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 164.0 0.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 110.161 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -46.72 -28.84 1.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -1.117 . . . . 0.0 110.284 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.17 111.61 20.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.563 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -117.69 -95.48 0.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.159 -0.963 . . . . 0.0 110.23 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.654 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 11.4 m-85 -50.05 -32.71 16.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.689 -0.632 . . . . 0.0 111.428 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER 1.28 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-O 121.106 0.479 . . . . 0.0 112.172 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.581 ' N ' ' O ' ' S' ' 5' ' ' TYR . 26.8 t -151.36 53.91 0.85 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -0.981 . . . . 0.0 111.176 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.588 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -69.64 175.98 3.84 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.709 -1.244 . . . . 0.0 108.889 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.547 ' CG2' ' HB3' ' S' ' 12' ' ' GLN . 1.2 t -77.33 139.24 39.72 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 p -48.3 -32.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 120.724 -1.235 . . . . 0.0 110.919 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 3.7 p -66.5 -45.94 87.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.768 -1.208 . . . . 0.0 110.054 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.579 ' NE2' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -73.23 -33.68 65.47 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.744 -1.223 . . . . 0.0 109.395 179.234 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.582 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.07 -39.51 78.7 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.297 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.581 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 13.8 mtpt -70.88 -31.46 68.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.86 -49.76 71.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.156 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.581 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.37 -44.76 82.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.752 -1.218 . . . . 0.0 109.85 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.639 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.44 -37.94 89.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.841 -1.162 . . . . 0.0 109.31 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 21.3 m -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.041 -1.037 . . . . 0.0 108.69 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -78.16 -13.04 60.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.972 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 11.9 ttt-85 -88.2 8.04 29.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.947 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.6 OUTLIER 65.8 19.54 11.35 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -178.526 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.4 tm? -150.96 116.16 5.33 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.539 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.3 OUTLIER -85.13 174.11 9.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.345 -0.847 . . . . 0.0 112.103 -178.536 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.694 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -113.25 102.03 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.699 -0.626 . . . . 0.0 110.107 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.38 119.58 6.57 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . 0.532 ' HA2' ' CB ' ' S' ' 30' ' ' GLU . . . 145.55 -171.18 26.66 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 0.7 OUTLIER -77.7 179.69 6.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.327 -1.102 . . . . 0.0 109.734 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -51.56 -41.37 61.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 109.621 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -67.44 -43.75 80.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 109.215 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.546 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 1.8 mm-40 -56.22 -37.11 69.25 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.612 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.41 -47.6 81.3 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.478 ' O ' HG13 ' S' ' 36' ' ' ILE 0.258 1.0 OUTLIER -60.71 -45.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.683 0.754 . . . . 0.0 109.731 179.606 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 29.2 mt-30 -67.55 -35.5 79.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.694 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.57 -44.99 80.76 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.072 -1.017 . . . . 0.0 110.435 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.654 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 25.7 mt -69.64 -47.79 62.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 117.84 -1.544 . . . . 0.0 109.961 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.508 HG22 HD12 ' S' ' 36' ' ' ILE . 24.5 mt -69.16 -44.61 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 110.88 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -68.46 -40.56 80.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.747 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t0 -71.81 -47.32 54.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 110.363 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.2 t70 -66.58 -27.44 67.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 110.233 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.66 -31.84 73.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.316 -0.865 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.91 150.64 25.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.227 -0.921 . . . . 0.0 110.303 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 42' ' ' SER . . . . . 0.429 ' O ' ' O ' ' S' ' 43' ' ' LYS . 21.9 t -146.61 168.81 20.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 0.0 110.163 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' S' ' 42' ' ' SER . 0.1 OUTLIER 61.33 137.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 0.0 110.181 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -133.42 132.64 41.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -1.119 . . . . 0.0 110.147 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.6 91.18 0.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.186 -0.947 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.564 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -123.69 -95.13 0.48 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.338 -0.851 . . . . 0.0 110.253 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.65 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 7.3 m-85 -50.69 -26.46 5.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.736 -0.603 . . . . 0.0 111.407 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -11.22 -55.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.013 0.435 . . . . 0.0 112.142 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.589 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -154.43 48.8 0.6 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.876 -1.14 . . . . 0.0 111.814 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.61 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -70.86 166.14 21.74 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 117.864 -1.535 . . . . 0.0 108.319 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.502 ' O ' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.3 156.59 35.43 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.717 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 1.1 p -49.74 -28.32 3.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.72 -1.238 . . . . 0.0 109.355 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.41 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.8 t -66.45 -44.49 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 110.319 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.3 -44.92 62.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.89 -1.131 . . . . 0.0 109.795 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.602 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.2 mp -55.93 -43.78 77.73 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.806 -1.158 . . . . 0.0 108.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.533 ' O ' ' CG2' ' S' ' 18' ' ' THR . 0.0 OUTLIER -68.35 -32.9 73.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -0.797 . . . . 0.0 109.969 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.471 ' O ' ' OG1' ' S' ' 18' ' ' THR . 0.2 OUTLIER -67.19 -50.57 60.48 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.914 -1.116 . . . . 0.0 110.571 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.608 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -63.4 -44.38 94.84 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.706 -1.246 . . . . 0.0 109.626 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.67 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 6.4 mt -68.89 -33.78 74.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 110.676 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' S' ' 14' ' ' LYS . 4.5 p -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.832 -1.167 . . . . 0.0 108.399 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -78.78 -12.13 60.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 109.923 179.058 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.545 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 9.4 mtt-85 -87.08 4.1 43.48 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.236 -0.915 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 69.42 17.94 7.99 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.7 OUTLIER -149.95 114.6 5.28 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.505 ' O ' HD12 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -72.12 -167.66 0.33 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.181 -0.95 . . . . 0.0 110.769 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.625 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.25 157.52 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.721 0.772 . . . . 0.0 111.278 -179.557 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.535 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -42.27 -98.29 0.01 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.03 -87.91 0.06 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.522 ' CG ' ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.36 173.71 1.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.168 -1.195 . . . . 0.0 110.934 -179.011 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 1.6 mmmm -55.3 -47.16 75.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.454 -0.779 . . . . 0.0 111.251 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' S' ' 29' ' ' ASN . 1.5 m120 -65.75 -43.85 87.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.921 -1.112 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.522 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 12.4 mm-40 -56.31 -36.91 69.21 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.794 -1.162 . . . . 0.0 108.147 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -67.0 -48.29 68.88 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.424 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.18 -45.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.627 0.727 . . . . 0.0 109.385 179.435 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 27.2 mt-30 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.48 -0.762 . . . . 0.0 110.439 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.577 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 2.6 ttm105 -67.18 -43.97 80.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.875 -1.141 . . . . 0.0 110.784 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.67 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 22.3 mt -68.95 -47.75 64.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.813 -1.179 . . . . 0.0 110.29 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 3.5 mt -69.63 -39.43 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.969 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.2 OUTLIER -70.57 -41.26 72.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.979 . . . . 0.0 109.385 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 4.3 m-20 -71.59 -38.19 70.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.479 -0.763 . . . . 0.0 110.007 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 4.0 t70 -73.56 -46.06 49.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 4.0 mm-40 -68.66 -48.97 62.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -96.82 165.38 12.14 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.266 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.75 77.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.33 -0.857 . . . . 0.0 110.237 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' S' ' 44' ' ' GLY . 6.3 mmtt -85.87 -13.95 46.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.217 -0.927 . . . . 0.0 110.15 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' S' ' 43' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.63 70.73 4.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -1.139 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.32 41.57 2.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.117 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.559 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.8 OUTLIER -120.79 -95.12 0.49 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 0.0 110.555 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.639 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 9.9 m-85 -49.12 -29.09 4.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.635 -0.666 . . . . 0.0 111.52 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 43.1 m -3.81 -64.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.063 0.458 . . . . 0.0 112.102 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 45.5 m -153.17 56.17 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.111 -0.993 . . . . 0.0 111.011 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.592 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -74.47 173.38 10.41 Favored 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.409 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.54 ' O ' HD13 ' S' ' 13' ' ' LEU . 2.4 m -76.83 142.95 40.06 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 p -49.0 -37.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 120.724 -1.235 . . . . 0.0 110.523 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -65.1 -45.43 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.939 -1.1 . . . . 0.0 110.112 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.5 -35.23 68.08 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.83 -1.169 . . . . 0.0 110.063 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.573 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.7 -39.36 80.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.562 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -69.68 -30.66 68.38 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 6.6 t0 -65.79 -50.18 65.61 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -63.52 -45.17 91.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.771 -1.206 . . . . 0.0 109.622 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.732 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.0 mt -68.09 -33.76 75.12 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.933 -1.104 . . . . 0.0 110.153 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -59.43 -43.36 93.12 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -14.29 59.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.689 -0.632 . . . . 0.0 109.379 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.524 ' CD ' HD22 ' S' ' 17' ' ' LEU . 8.6 ttt-85 -87.39 0.38 55.56 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.413 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.83 23.3 11.41 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 3.3 tm? -150.83 91.18 1.69 Allowed 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.9 OUTLIER -52.53 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.557 -1.34 . . . . 0.0 110.855 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.592 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -109.81 161.17 8.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 110.753 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.508 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -42.08 -101.44 0.01 OUTLIER Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.25 -53.26 0.01 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.596 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 0.1 OUTLIER -85.12 166.76 16.36 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.96 -1.318 . . . . 0.0 109.847 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.4 OUTLIER -52.4 -45.87 66.04 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 109.49 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -67.29 -43.63 81.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.989 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.534 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 44.4 mm-40 -55.38 -33.81 63.77 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.068 -1.02 . . . . 0.0 108.528 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' S' ' 31' ' ' LEU . 0.1 OUTLIER -70.2 -48.55 56.64 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.474 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.57 -45.33 86.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 179.014 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 82.7 mt-30 -67.45 -36.0 80.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.474 -0.766 . . . . 0.0 110.748 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.56 ' HD3' HD12 ' S' ' 22' ' ' LEU . 12.2 ttm180 -68.92 -43.89 74.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.821 -1.175 . . . . 0.0 111.141 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.732 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 16.7 mt -70.03 -47.2 63.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 109.892 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 21.9 mt -70.09 -42.7 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.841 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.17 -41.06 74.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.939 -1.1 . . . . 0.0 109.694 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 62.0 t0 -71.48 -41.18 69.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 110.021 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 9.3 t70 -71.74 -41.65 68.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.146 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' S' ' 41' ' ' GLU . 1.4 tt0 -67.94 -28.8 67.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -0.94 . . . . 0.0 110.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' S' ' 40' ' ' GLU . 0.7 OUTLIER 42.11 -152.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.376 -0.828 . . . . 0.0 110.369 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 4.6 m -73.62 -158.02 0.05 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.289 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 158.2 17.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.222 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.42 157.04 34.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.137 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 139.69 30.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.195 -0.941 . . . . 0.0 110.22 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.542 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -125.65 -95.57 0.45 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.904 . . . . 0.0 110.483 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.62 ' O ' ' N ' ' S' ' 7' ' ' SER . 5.8 m-85 -50.85 -32.94 21.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.546 -0.721 . . . . 0.0 111.078 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.568 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER 3.01 -68.79 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.13 0.49 . . . . 0.0 111.887 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.62 ' N ' ' O ' ' S' ' 5' ' ' TYR . 33.5 t -154.47 49.16 0.61 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.132 -0.98 . . . . 0.0 111.328 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -63.1 172.93 1.59 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.276 -1.515 . . . . 0.0 108.143 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.2 OUTLIER -74.56 155.11 38.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.537 HG21 ' HD2' ' S' ' 28' ' ' LYS . 5.0 t -51.29 -27.8 6.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.607 -1.308 . . . . 0.0 109.392 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.49 HG13 ' OE1' ' S' ' 12' ' ' GLN . 5.4 t -68.03 -44.93 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.454 -0.779 . . . . 0.0 110.599 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -71.94 -42.54 66.51 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 118.893 -1.123 . . . . 0.0 109.213 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.591 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 14.2 mt -56.84 -43.99 81.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.527 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 20.6 mmtt -68.65 -32.16 71.8 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.435 -0.79 . . . . 0.0 109.318 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -49.58 62.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.2 OUTLIER -64.58 -44.34 90.98 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.732 -1.23 . . . . 0.0 110.021 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.615 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -64.55 -34.77 79.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.916 -1.115 . . . . 0.0 109.606 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 17.6 m -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.149 -0.97 . . . . 0.0 108.492 178.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -14.42 59.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.525 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -88.2 10.96 17.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.264 -0.897 . . . . 0.0 110.275 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' S' ' 20' ' ' ARG . 57.6 m-80 60.29 20.87 10.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' S' ' 17' ' ' LEU . 2.8 tm? -148.87 113.18 5.25 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.528 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -83.42 173.77 11.23 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.431 -0.793 . . . . 0.0 112.318 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.671 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -112.95 92.97 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.684 -0.635 . . . . 0.0 109.865 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 113.86 4.26 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . 0.487 ' HA2' ' HB3' ' S' ' 30' ' ' GLU . . . 147.55 174.99 19.97 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.52 HD22 ' CG ' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -66.7 179.44 1.07 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.436 -1.038 . . . . 0.0 110.738 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.548 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -52.15 -47.13 65.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.636 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -63.77 -39.07 93.36 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.404 -1.435 . . . . 0.0 108.553 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.52 ' CG ' HD22 ' S' ' 27' ' ' LEU . 42.6 mm-40 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.556 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.15 -47.27 86.97 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.547 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.85 -44.85 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 5.2 mm100 -66.34 -35.95 81.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 110.732 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.671 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -69.18 -44.65 71.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.615 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 35.1 mt -70.04 -49.1 54.63 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 118.667 -1.213 . . . . 0.0 111.088 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.547 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 3.0 mt -69.64 -38.1 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.403 -0.811 . . . . 0.0 110.398 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tttt -69.79 -37.88 76.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.006 -1.059 . . . . 0.0 108.766 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' S' ' 41' ' ' GLU . 44.5 t0 -72.27 -38.66 68.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.514 -0.741 . . . . 0.0 110.368 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -62.19 -41.89 98.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.107 -0.996 . . . . 0.0 110.069 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.58 -27.7 50.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.24 -0.912 . . . . 0.0 110.164 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' S' ' 38' ' ' ASP . 3.2 pt-20 -119.06 47.6 1.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 42' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' S' ' 43' ' ' LYS . 0.1 OUTLIER -85.74 -74.44 0.41 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.299 -0.876 . . . . 0.0 110.252 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' S' ' 42' ' ' SER . 2.7 ptmt 178.05 54.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 2' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' S' ' 2' ' ' SER . 28.3 p 46.07 76.29 0.1 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -1.13 . . . . 0.0 110.148 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.13 132.76 28.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.206 -0.934 . . . . 0.0 110.281 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.549 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -128.71 -95.67 0.41 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.245 -0.91 . . . . 0.0 110.378 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.616 ' CD2' ' HB3' ' S' ' 35' ' ' LEU . 6.9 m-85 -50.37 -24.63 3.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.553 -0.717 . . . . 0.0 110.615 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.542 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER -10.75 -55.1 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.601 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.5 OUTLIER -153.91 44.29 0.57 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.741 -1.224 . . . . 0.0 112.491 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.619 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -77.96 157.55 29.67 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 117.439 -1.704 . . . . 0.0 107.946 177.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.462 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 16.1 p -75.64 162.87 27.88 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 118.781 -1.167 . . . . 0.0 108.01 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.473 ' HA ' HD11 ' S' ' 13' ' ' LEU . 3.3 m -50.4 -27.2 4.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 120.775 -1.203 . . . . 0.0 109.79 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -46.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.36 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.607 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.9 -44.25 61.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.756 -1.215 . . . . 0.0 108.72 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.596 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 9.9 mt -57.09 -40.9 77.9 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.542 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 72.8 tttt -69.18 -33.09 72.84 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.644 -0.66 . . . . 0.0 109.455 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -66.86 -50.04 63.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.982 . . . . 0.0 110.011 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.607 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -61.75 -45.01 95.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.947 -1.096 . . . . 0.0 109.851 179.503 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.694 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 5.0 mt -68.65 -33.72 74.48 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.946 -1.096 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -59.62 -43.42 93.82 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -78.98 -16.59 56.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.722 -0.611 . . . . 0.0 109.79 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.525 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 3.8 ttt-85 -87.5 -5.77 58.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.308 -0.87 . . . . 0.0 110.335 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 3.8 t30 69.75 22.87 5.9 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.616 HD11 ' CD2' ' S' ' 17' ' ' LEU . 2.5 tm? -146.03 80.79 1.58 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.528 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.6 OUTLIER -47.6 -176.85 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.406 -0.808 . . . . 0.0 112.182 -178.325 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.655 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -119.35 71.81 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.34 115.86 7.48 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . 0.469 ' HA2' ' HB3' ' S' ' 30' ' ' GLU . . . 140.07 171.64 12.47 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.52 ' N ' ' HB2' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -66.01 179.51 0.9 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.437 -1.037 . . . . 0.0 110.645 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.523 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -53.25 -48.35 68.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 110.489 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.434 ' HB2' HD13 ' S' ' 27' ' ' LEU . 11.6 m-20 -63.19 -39.13 93.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.466 -1.396 . . . . 0.0 108.623 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.52 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 26.6 mm-40 -56.33 -39.48 72.89 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.598 ' O ' ' HG ' ' S' ' 35' ' ' LEU . 0.2 OUTLIER -61.13 -47.82 84.48 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.463 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -55.41 -43.21 70.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.659 178.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.9 mm-40 -67.45 -36.43 81.16 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.467 -0.771 . . . . 0.0 110.988 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.655 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 7.5 ttm180 -69.86 -44.44 69.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.755 -1.216 . . . . 0.0 111.178 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.694 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 13.7 mt -70.6 -47.85 58.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.004 -1.06 . . . . 0.0 110.684 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.465 ' HA ' ' OD1' ' S' ' 39' ' ' ASP . 39.8 mt -71.16 -39.77 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.478 -0.763 . . . . 0.0 110.667 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -70.3 -37.72 74.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.933 -1.104 . . . . 0.0 109.196 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 20.1 t0 -71.85 -45.05 62.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.435 -0.791 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -65.87 -47.99 73.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 110.309 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' S' ' 42' ' ' SER . 3.6 tt0 -68.39 -35.86 78.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.01 -93.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.299 -0.876 . . . . 0.0 110.133 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 42' ' ' SER . . . . . 0.504 ' N ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER -76.34 175.51 9.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.088 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . 0.427 ' HE2' ' OE1' ' S' ' 40' ' ' GLU . 4.6 mttt -133.6 55.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.175 -0.953 . . . . 0.0 110.224 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 2' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' S' ' 3' ' ' ALA . 24.2 p -169.64 48.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' S' ' 2' ' ' SER . . . 174.62 163.61 0.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.195 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.566 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.9 OUTLIER -118.54 -95.57 0.48 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.218 -0.926 . . . . 0.0 110.637 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.61 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 9.4 m-85 -50.3 -29.01 8.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.623 -0.673 . . . . 0.0 111.443 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.576 ' C ' ' O ' ' S' ' 5' ' ' TYR . 1.0 OUTLIER -5.12 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.364 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.595 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -153.77 47.51 0.64 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.995 -1.066 . . . . 0.0 111.826 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.1 OUTLIER -70.05 163.3 26.47 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 117.783 -1.567 . . . . 0.0 107.956 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.517 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 3.1 m -75.19 156.48 35.79 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.505 ' N ' HG21 ' S' ' 9' ' ' THR . 5.5 p -49.17 -27.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.655 -1.278 . . . . 0.0 109.603 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.457 ' HB ' HG23 ' S' ' 9' ' ' THR . 6.8 t -67.21 -44.09 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 0.0 110.247 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.28 -44.95 62.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.875 -1.141 . . . . 0.0 109.498 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.584 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.3 mp -56.22 -43.47 78.6 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.303 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.545 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 25.1 tttt -67.79 -32.01 72.29 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.502 -0.749 . . . . 0.0 109.727 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -68.48 -50.36 52.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 0.0 110.351 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.608 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -62.8 -44.94 94.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.814 -1.179 . . . . 0.0 109.928 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.662 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 6.1 mt -68.19 -34.08 75.61 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.285 -0.884 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 3.9 m -60.01 -45.37 93.0 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -78.97 -14.65 59.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.663 -0.648 . . . . 0.0 110.165 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 0.2 OUTLIER -87.59 -3.69 58.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.145 -0.972 . . . . 0.0 110.453 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 71.06 20.96 5.04 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.603 HD11 ' CD2' ' S' ' 17' ' ' LEU . 1.1 tm? -146.81 86.64 1.66 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.546 ' O ' HD12 ' S' ' 22' ' ' LEU . 0.9 OUTLIER -49.1 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.365 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.615 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -109.64 152.04 11.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.493 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -39.47 -98.37 0.01 OUTLIER Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.26 -65.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.594 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 2.0 mm? -61.84 155.66 22.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.081 -1.247 . . . . 0.0 110.61 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' S' ' 8' ' ' LEU . 5.5 tptm -53.99 -44.18 70.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 2.1 m-20 -66.87 -41.14 87.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.527 ' CG ' ' HB2' ' S' ' 27' ' ' LEU . 3.7 mm-40 -55.93 -37.37 68.85 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -65.5 -48.5 72.37 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.318 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.453 ' O ' HD13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -56.64 -44.02 80.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.233 178.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 56.9 mt-30 -67.33 -38.06 84.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.534 -0.729 . . . . 0.0 110.883 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.55 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 3.5 ttm180 -66.75 -44.32 81.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.663 -1.273 . . . . 0.0 110.974 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.662 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 14.8 mt -70.01 -48.14 59.29 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.877 -1.139 . . . . 0.0 110.496 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 55.4 mt -70.97 -40.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.7 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 11.9 tmtt? -69.32 -41.15 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 109.22 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 13.5 m-20 -71.99 -36.39 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -0.838 . . . . 0.0 110.125 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 3.2 t0 -71.66 -44.87 63.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 110.61 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.6 OUTLIER -62.67 -31.77 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.103 -0.998 . . . . 0.0 110.196 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -91.96 117.29 29.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 0.0 110.148 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 68.8 p -90.48 -16.41 28.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.861 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -93.1 166.07 12.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 110.172 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' S' S ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' S' ' 3' ' ' ALA . 0.7 OUTLIER -100.84 53.55 0.85 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.269 -1.136 . . . . 0.0 110.091 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' S' ' 2' ' ' SER . . . 42.72 71.98 0.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 110.308 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.561 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.4 OUTLIER -128.44 -95.09 0.42 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.207 -0.933 . . . . 0.0 110.481 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.634 ' CG ' ' CB ' ' S' ' 35' ' ' LEU . 15.8 m-85 -50.17 -35.15 25.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.667 -0.646 . . . . 0.0 111.967 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.7 OUTLIER 4.95 -72.09 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.134 0.492 . . . . 0.0 112.076 -179.666 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -150.84 57.75 0.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.176 -0.952 . . . . 0.0 110.851 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.615 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -77.87 -177.26 4.84 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.771 -1.205 . . . . 0.0 109.192 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.574 ' O ' HD13 ' S' ' 13' ' ' LEU . 40.1 p -81.48 136.5 35.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.181 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -48.14 -30.52 2.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.327 -1.483 . . . . 0.0 109.876 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -47.15 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.184 -0.948 . . . . 0.0 109.925 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.56 ' OE1' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.95 -38.09 66.88 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 1.1 mp -57.37 -39.65 76.48 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.564 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.3 OUTLIER -67.27 -31.09 71.18 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 51.4 t0 -67.93 -49.85 59.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.262 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.591 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -60.76 -43.91 97.39 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.485 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.702 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 6.8 mt -70.09 -33.22 71.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.711 -1.243 . . . . 0.0 110.13 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.64 -41.8 86.84 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -17.17 56.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.8 ttt85 -86.8 -3.42 59.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.425 -0.797 . . . . 0.0 110.42 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 66.42 23.32 10.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' S' ' 17' ' ' LEU . 3.3 tm? -147.43 81.22 1.52 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.581 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.6 OUTLIER -45.61 177.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 111.038 -178.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER -104.61 154.77 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.833 -179.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -39.06 -98.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.02 -81.98 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.484 ' O ' HD22 ' S' ' 31' ' ' LEU . 0.3 OUTLIER -62.36 167.38 4.24 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -1.226 . . . . 0.0 111.05 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.517 ' HE2' ' CD1' ' S' ' 13' ' ' LEU . 3.6 tptp -51.85 -46.87 64.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.784 . . . . 0.0 111.275 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.42 -43.36 94.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.842 -1.161 . . . . 0.0 110.301 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' HG ' ' S' ' 27' ' ' LEU . 21.0 mm-40 -56.34 -38.24 71.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.84 -1.163 . . . . 0.0 108.552 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' S' ' 31' ' ' LEU . 0.1 OUTLIER -65.19 -47.19 77.82 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.6 OUTLIER -60.28 -44.48 95.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.575 0.703 . . . . 0.0 109.608 179.052 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 7.6 mt-30 -67.66 -42.73 81.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.467 -0.771 . . . . 0.0 111.119 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 6.2 ttm-85 -64.58 -44.48 90.53 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.881 -1.137 . . . . 0.0 111.102 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.702 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 11.9 mt -70.98 -46.78 61.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.691 -1.256 . . . . 0.0 110.52 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.457 HG13 ' O ' ' S' ' 32' ' ' VAL . 62.7 mt -69.47 -43.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 110.547 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -70.72 -42.85 70.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.055 -1.028 . . . . 0.0 109.96 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 9.9 t0 -71.46 -46.23 60.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 43.5 t0 -66.15 -34.68 78.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -72.45 -27.35 62.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 110.038 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.62 -32.19 47.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.126 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.35 -22.48 26.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.38 165.96 12.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.225 -0.922 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' S' S ' 2' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' S' ' 3' ' ' ALA . 0.8 OUTLIER -175.84 -159.08 0.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -1.187 . . . . 0.0 110.172 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . 0.428 ' N ' ' OG ' ' S' ' 2' ' ' SER . . . 63.33 133.32 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -0.876 . . . . 0.0 110.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.559 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.4 OUTLIER -128.16 -95.1 0.43 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.279 -0.888 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.654 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 10.7 m-85 -49.4 -26.92 3.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.768 -0.583 . . . . 0.0 111.476 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.577 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -5.86 -62.14 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-O 121.074 0.464 . . . . 0.0 112.164 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 3.8 m -153.95 52.46 0.69 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.099 -1.001 . . . . 0.0 111.126 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.581 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -70.82 171.48 10.53 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.558 -1.339 . . . . 0.0 108.776 178.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.538 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.3 t -76.4 140.43 41.35 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.442 HG21 HD13 ' S' ' 31' ' ' LEU . 3.2 p -48.04 -33.84 4.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.863 -1.148 . . . . 0.0 111.0 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 4.2 p -65.64 -45.57 91.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 120.831 -1.168 . . . . 0.0 110.042 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.549 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.69 -34.13 66.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 109.77 179.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.585 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.01 -40.18 80.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.326 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.568 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 14.2 mtmt -67.66 -32.68 73.53 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.464 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 9.4 t0 -65.55 -49.63 68.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 0.0 110.666 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -64.65 -44.88 89.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.643 -1.285 . . . . 0.0 109.781 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.737 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.5 mt -67.78 -34.63 77.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.894 -1.129 . . . . 0.0 110.013 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -59.89 -43.4 94.8 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -78.58 -13.54 59.78 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.589 -0.694 . . . . 0.0 109.532 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.526 ' CD ' HD22 ' S' ' 17' ' ' LEU . 18.7 ttt85 -87.2 7.93 26.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.376 -0.828 . . . . 0.0 110.265 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 8.9 t-20 64.36 19.42 11.79 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -178.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 2.7 tm? -151.19 123.12 8.13 Favored 'General case' 0 C--O 1.2 -1.503 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' S' ' 22' ' ' LEU . 0.8 OUTLIER -80.14 -168.1 1.54 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.691 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.603 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.93 160.61 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.295 -0.878 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.521 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -48.81 -110.32 0.01 OUTLIER Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.0 -85.24 0.12 Allowed Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.003 -1.292 . . . . 0.0 110.347 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.548 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.56 172.7 1.13 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.995 -1.297 . . . . 0.0 110.584 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -59.8 -47.0 87.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 111.261 -179.045 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.512 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.0 OUTLIER -62.34 -34.35 76.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.739 -1.225 . . . . 0.0 109.511 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.548 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 10.0 mm-40 -66.99 -38.3 85.77 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.578 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.03 -48.21 74.65 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.038 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.479 ' O ' HG13 ' S' ' 36' ' ' ILE 0.25 0.8 OUTLIER -59.36 -45.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.314 179.37 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.4 -35.67 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.537 -0.727 . . . . 0.0 110.518 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.585 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 5.6 ttm105 -68.32 -43.58 77.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.931 -1.106 . . . . 0.0 110.855 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.737 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 21.3 mt -69.13 -47.13 65.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.533 -1.354 . . . . 0.0 109.669 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' S' ' 40' ' ' GLU . 34.4 mt -68.09 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 110.113 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.91 -44.96 65.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.181 -0.949 . . . . 0.0 109.968 179.233 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.473 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 16.8 t70 -68.19 -42.72 79.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.928 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 8.9 t70 -73.54 -32.09 64.01 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.36 -0.837 . . . . 0.0 110.221 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' S' ' 36' ' ' ILE . 5.6 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.932 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' S' ' 42' ' ' SER . 0.1 OUTLIER 64.57 32.39 11.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 42' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' S' ' 41' ' ' GLU . 1.7 t 68.42 -63.75 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.222 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' S' ' 41' ' ' GLU . 1.4 mptt -101.94 157.1 17.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.146 -0.971 . . . . 0.0 110.265 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -1.145 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.12 90.95 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 110.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.57 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -128.78 -95.82 0.4 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.235 -0.915 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.63 ' CD2' ' HB3' ' S' ' 35' ' ' LEU . 11.1 m-85 -49.7 -28.33 5.88 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.618 -0.676 . . . . 0.0 110.75 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.525 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -14.41 -50.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 75.8 m -151.17 43.56 0.78 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.332 -1.347 . . . . 0.0 113.109 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.64 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -83.65 158.77 21.74 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 117.412 -1.715 . . . . 0.0 108.281 177.779 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 2.5 p -75.47 162.18 28.56 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.292 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.45 ' HA ' HD13 ' S' ' 13' ' ' LEU . 7.7 p -50.75 -27.3 4.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 120.964 -1.085 . . . . 0.0 109.296 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.47 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 14.6 t -67.97 -45.13 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.592 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.9 OUTLIER -71.76 -44.96 63.15 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 118.493 -1.283 . . . . 0.0 109.497 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.631 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 3.5 mt -57.46 -43.67 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.567 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.53 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 3.0 tppp? -66.3 -33.14 75.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.387 -0.82 . . . . 0.0 109.215 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.473 ' O ' ' OG1' ' S' ' 18' ' ' THR . 0.1 OUTLIER -70.25 -49.12 53.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.343 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.62 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -59.89 -43.88 94.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 118.585 -1.246 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.677 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.6 mt -71.24 -34.04 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.544 -1.347 . . . . 0.0 110.966 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' S' ' 15' ' ' ASP . 0.7 OUTLIER -59.07 -40.47 85.31 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -79.2 -17.83 54.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.74 -0.6 . . . . 0.0 109.454 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 4.2 ttt180 -87.17 -4.4 59.11 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.86 . . . . 0.0 110.321 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 67.78 22.4 8.86 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 3.2 tm? -145.37 82.1 1.64 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.564 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.7 OUTLIER -45.08 176.48 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.218 -0.926 . . . . 0.0 111.247 -178.389 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.612 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER -105.44 155.13 6.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.881 -179.6 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -34.52 -99.73 0.01 OUTLIER Glycine 0 N--CA 1.498 2.809 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.29 -46.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.151 -1.206 . . . . 0.0 110.536 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 0.1 OUTLIER -90.05 162.21 15.45 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.854 -1.38 . . . . 0.0 109.834 -179.685 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.535 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 6.7 tptm -51.33 -46.63 62.7 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.0 -1.062 . . . . 0.0 109.827 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -66.09 -43.64 86.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.041 . . . . 0.0 109.775 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.457 ' HG3' ' HG ' ' S' ' 27' ' ' LEU . 1.9 mm-40 -55.72 -35.99 66.73 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.119 -0.988 . . . . 0.0 108.534 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' S' ' 31' ' ' LEU . 0.1 OUTLIER -66.23 -47.4 73.93 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.178 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.453 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -58.38 -43.94 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.562 0.696 . . . . 0.0 109.239 178.62 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.9 -43.67 78.75 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.462 -0.773 . . . . 0.0 111.402 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.588 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 5.5 ttm-85 -63.93 -44.08 93.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.809 -1.182 . . . . 0.0 110.913 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.677 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 12.7 mt -71.41 -47.33 56.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.12 -0.988 . . . . 0.0 110.691 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 54.1 mt -69.57 -40.1 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.461 -0.774 . . . . 0.0 109.715 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 15.1 ttmt -70.73 -40.97 72.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 30.9 t0 -70.67 -43.5 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.297 -0.877 . . . . 0.0 109.825 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.7 t70 -68.98 -32.2 71.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.83 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' S' ' 42' ' ' SER . 1.2 mm-40 -73.57 -37.6 65.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.27 -0.894 . . . . 0.0 109.918 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER 65.39 -69.27 0.1 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 110.171 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 42' ' ' SER . . . . . 0.495 ' N ' ' O ' ' S' ' 40' ' ' GLU . 27.7 m -58.86 -179.45 0.07 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.192 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 16.5 mttm 51.48 -172.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m 54.56 57.86 5.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -1.161 . . . . 0.0 110.189 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.32 57.08 0.65 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.539 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -129.03 -95.74 0.4 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.243 -0.91 . . . . 0.0 110.592 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.651 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 10.8 m-85 -50.32 -29.86 10.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 0.0 111.416 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.8 OUTLIER 0.07 -67.15 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 121.068 0.461 . . . . 0.0 112.013 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.598 ' N ' ' O ' ' S' ' 5' ' ' TYR . 25.2 t -153.66 54.81 0.73 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.928 . . . . 0.0 111.004 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.607 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -71.85 177.05 4.46 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.636 -1.29 . . . . 0.0 109.265 179.239 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.552 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.5 t -81.67 143.91 31.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.46 HG11 ' N ' ' S' ' 11' ' ' VAL . 5.4 p -48.77 -34.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.706 -1.246 . . . . 0.0 110.966 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.525 ' CG1' HG22 ' S' ' 9' ' ' THR . 11.3 p -66.66 -45.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.771 -1.206 . . . . 0.0 110.344 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.565 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -73.22 -34.75 66.09 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.701 -1.25 . . . . 0.0 109.83 179.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.573 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.4 -39.66 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.333 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.567 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 4.3 ttmm -70.12 -30.63 67.87 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' S' ' 18' ' ' THR . 22.5 t0 -65.51 -49.43 69.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.931 . . . . 0.0 110.183 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.549 ' CD1' HD21 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.77 -44.59 89.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.703 -1.248 . . . . 0.0 109.697 179.487 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.725 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.6 mt -68.02 -36.64 80.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.943 -1.098 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' S' ' 15' ' ' ASP . 4.5 p -59.74 -42.09 92.4 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.71 -13.91 59.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.677 -0.639 . . . . 0.0 109.549 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.518 ' CD ' HD22 ' S' ' 17' ' ' LEU . 23.1 ttt85 -87.59 8.25 26.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.42 -0.8 . . . . 0.0 110.372 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.14 20.47 12.0 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.528 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 2.7 tm? -153.57 123.17 6.71 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.534 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.7 OUTLIER -80.43 -167.89 1.51 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.77 -1.206 . . . . 0.0 110.626 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.605 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.44 159.93 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 110.354 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.544 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -45.05 -103.92 0.01 OUTLIER Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.87 -79.17 0.02 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.538 ' CG ' ' HG2' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -65.65 167.96 8.33 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.015 -1.286 . . . . 0.0 111.049 -179.137 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 4.6 tptm -52.03 -47.21 65.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.556 -0.715 . . . . 0.0 111.34 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -65.37 -42.27 92.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.797 -1.189 . . . . 0.0 110.038 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.538 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 12.7 mm-40 -56.36 -37.68 70.38 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.76 -1.176 . . . . 0.0 108.336 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.553 HD11 HG13 ' S' ' 24' ' ' VAL . 0.1 OUTLIER -64.26 -48.34 76.14 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.485 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.59 -45.79 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.545 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 2.8 mt-30 -67.03 -35.7 80.47 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.529 -0.732 . . . . 0.0 110.52 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.579 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 9.6 ttm180 -68.84 -44.0 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.001 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.725 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 23.3 mt -69.26 -47.23 65.26 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 118.098 -1.441 . . . . 0.0 109.807 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.508 HG22 HD12 ' S' ' 36' ' ' ILE . 21.4 mt -68.81 -43.06 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 119.474 -0.89 . . . . 0.0 110.245 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -71.34 -47.17 58.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.012 -1.055 . . . . 0.0 110.24 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 29.3 t0 -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.472 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 9.1 t0 -66.84 -29.41 69.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.258 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 45.8 tt0 -70.35 -37.14 74.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.0 110.196 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -66.95 107.9 2.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.218 -0.926 . . . . 0.0 110.186 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -92.77 139.58 30.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 110.217 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.62 141.04 51.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -0.945 . . . . 0.0 110.14 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.5 96.68 2.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -1.158 . . . . 0.0 110.167 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.09 -135.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.923 . . . . 0.0 110.245 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.541 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.7 OUTLIER -114.69 -94.63 0.47 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.121 -0.987 . . . . 0.0 110.474 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.659 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 10.0 m-85 -49.38 -27.37 3.98 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.635 -0.666 . . . . 0.0 111.274 -178.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.2 -62.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 121.051 0.453 . . . . 0.0 112.124 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.579 ' N ' ' O ' ' S' ' 5' ' ' TYR . 8.7 m -153.31 54.5 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.12 -0.987 . . . . 0.0 111.1 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.597 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -73.03 174.98 7.1 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.657 -1.277 . . . . 0.0 109.043 179.165 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.563 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.2 t -81.6 143.75 31.73 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.514 HG11 ' N ' ' S' ' 11' ' ' VAL . 7.1 p -48.43 -35.78 6.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 120.785 -1.197 . . . . 0.0 111.088 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 2.6 p -66.23 -46.0 88.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 120.845 -1.16 . . . . 0.0 110.302 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.575 ' NE2' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.84 -34.8 67.02 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.604 -1.31 . . . . 0.0 109.881 179.771 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.581 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.57 -40.07 82.07 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.45 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.554 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 1.8 tttt -69.1 -30.99 69.4 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.523 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -65.5 -49.54 68.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 110.268 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.575 ' CD2' ' NE2' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -64.29 -45.15 89.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.654 -1.279 . . . . 0.0 109.757 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.718 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.4 mt -67.65 -34.41 76.9 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.803 -1.186 . . . . 0.0 109.966 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -78.44 -13.77 59.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.653 -0.654 . . . . 0.0 109.376 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 6.1 ttt85 -86.99 7.51 27.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.24 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 64.6 20.31 12.1 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -178.355 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.675 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 2.8 tm? -152.15 122.67 7.33 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.552 ' O ' ' CD1' ' S' ' 22' ' ' LEU . 0.8 OUTLIER -79.92 -167.49 1.29 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.682 -1.261 . . . . 0.0 110.608 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.602 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.36 160.98 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 110.298 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.545 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -46.62 -104.95 0.01 OUTLIER Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.84 -80.49 0.03 OUTLIER Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.167 -1.196 . . . . 0.0 110.174 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.522 ' CG ' ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -63.93 167.76 5.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.056 -1.261 . . . . 0.0 110.92 -179.103 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.52 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 0.3 OUTLIER -52.09 -47.33 65.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.65 -0.656 . . . . 0.0 111.354 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.95 -42.71 94.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.758 -1.213 . . . . 0.0 110.218 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.522 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 19.1 mm-40 -56.1 -38.92 71.39 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.418 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.56 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.58 -48.36 77.73 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.49 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.71 -45.63 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 109.822 179.255 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 5.8 mm100 -66.95 -36.76 82.94 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 110.617 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.59 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.02 -43.78 78.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 111.139 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.718 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 27.3 mt -68.82 -46.79 67.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.464 -1.397 . . . . 0.0 109.727 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.49 HG13 ' O ' ' S' ' 32' ' ' VAL . 34.6 mt -68.06 -39.49 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.15 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -71.53 -38.57 71.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.89 -1.131 . . . . 0.0 109.766 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 6.2 t0 -71.45 -43.63 66.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.586 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.0 OUTLIER -62.04 -28.07 69.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.05 -1.031 . . . . 0.0 110.129 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' S' ' 41' ' ' GLU . 0.5 OUTLIER -55.35 -34.34 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.207 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.7 OUTLIER 64.54 102.01 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.0 110.151 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -63.87 1.21 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.77 5.47 4.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.215 -0.928 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.09 -176.03 3.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -1.118 . . . . 0.0 110.211 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.53 64.74 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.877 . . . . 0.0 110.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.578 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -120.33 -95.95 0.48 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.177 -0.952 . . . . 0.0 110.357 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.631 ' CD2' ' HB3' ' S' ' 35' ' ' LEU . 8.5 m-85 -50.05 -26.27 4.21 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.516 -0.74 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.514 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -18.23 -46.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.03 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -151.55 40.58 0.68 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.431 -1.418 . . . . 0.0 113.325 -179.283 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.642 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -84.24 155.75 22.32 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 117.266 -1.773 . . . . 0.0 108.203 177.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.456 ' C ' HD13 ' S' ' 13' ' ' LEU . 16.4 p -75.45 162.38 28.4 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . 0.522 HG21 ' N ' ' S' ' 11' ' ' VAL . 34.4 m -50.34 -27.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.723 -1.236 . . . . 0.0 109.586 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.522 ' N ' HG21 ' S' ' 10' ' ' VAL . 17.2 t -66.31 -46.59 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 110.437 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -73.03 -43.99 61.37 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.581 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.618 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 12.0 mt -56.2 -43.15 78.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.536 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 8.6 tttt -69.32 -32.66 71.92 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.441 -0.787 . . . . 0.0 109.518 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -66.79 -50.19 63.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.028 -1.045 . . . . 0.0 109.94 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.605 ' CD2' ' O ' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -61.58 -44.52 96.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.885 -1.134 . . . . 0.0 109.81 179.435 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.707 ' HB3' ' O ' ' S' ' 22' ' ' LEU . 8.6 mt -68.9 -33.93 74.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.887 -1.133 . . . . 0.0 110.438 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -59.76 -43.65 94.2 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -15.44 57.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.689 -0.632 . . . . 0.0 110.158 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 1.8 ttt-85 -87.3 -0.01 56.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.14 -0.975 . . . . 0.0 110.664 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.9 t30 69.35 20.73 7.25 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -147.63 96.22 2.64 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.7 OUTLIER -54.37 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.699 -1.251 . . . . 0.0 110.756 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.62 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -112.55 157.01 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.452 -0.78 . . . . 0.0 110.93 -179.298 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.527 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -41.06 -94.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.23 -85.98 0.05 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.535 ' CG ' ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.57 167.8 4.14 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -1.209 . . . . 0.0 110.9 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' S' ' 8' ' ' LEU . 0.3 OUTLIER -51.95 -47.33 64.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.538 -0.727 . . . . 0.0 111.333 -179.215 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.06 -42.86 96.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.737 -1.227 . . . . 0.0 109.789 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.535 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 61.0 mm-40 -56.27 -37.2 69.49 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.339 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.58 ' O ' ' HG ' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -63.98 -48.11 77.74 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.529 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.28 -44.13 83.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.448 -0.782 . . . . 0.0 109.341 178.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 46.5 mt-30 -67.18 -44.08 80.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.448 -0.783 . . . . 0.0 111.066 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.551 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 4.0 ttm-85 -61.9 -44.59 96.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.931 -1.106 . . . . 0.0 111.289 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.663 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 15.4 mt -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.975 -1.078 . . . . 0.0 111.036 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 22.9 mt -70.07 -37.11 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.421 -0.799 . . . . 0.0 110.174 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 8.2 mmmt -70.9 -40.48 72.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.023 -1.048 . . . . 0.0 108.882 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 0.8 OUTLIER -71.69 -37.39 70.71 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.511 -0.743 . . . . 0.0 109.983 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.8 OUTLIER -71.01 -37.67 72.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.448 -0.782 . . . . 0.0 110.258 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.1 OUTLIER -70.23 -46.18 64.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.986 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' S' ' 40' ' ' GLU . 3.0 tp10 52.66 170.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.194 -0.941 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 7.3 m 53.35 -166.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' S' ' 43' ' ' LYS . 0.4 OUTLIER -135.67 73.96 1.49 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -81.4 -28.17 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -1.18 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.48 69.92 0.51 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 110.14 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.55 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.7 OUTLIER -118.45 -95.19 0.49 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.286 -0.884 . . . . 0.0 110.443 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.667 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 11.7 m-85 -49.52 -29.89 7.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.599 -0.688 . . . . 0.0 111.13 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.575 ' C ' ' O ' ' S' ' 5' ' ' TYR . 3.3 p -0.83 -66.89 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.181 0.515 . . . . 0.0 112.072 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.583 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER -152.47 54.78 0.8 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 110.971 179.49 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.595 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -72.02 177.86 4.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.733 -1.229 . . . . 0.0 109.217 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.566 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.5 t -82.03 142.89 31.96 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.5 -34.15 5.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.781 -1.199 . . . . 0.0 110.984 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.529 ' CG1' HG22 ' S' ' 9' ' ' THR . 12.4 p -66.89 -45.98 86.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.748 -1.22 . . . . 0.0 110.378 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.571 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -73.5 -35.02 65.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.686 -1.259 . . . . 0.0 110.013 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.571 ' N ' ' HG3' ' S' ' 12' ' ' GLN . 0.4 OUTLIER -58.98 -40.31 84.44 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 177.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.574 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.2 tttt -69.78 -31.35 69.23 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' S' ' 18' ' ' THR . 46.9 t0 -64.49 -49.44 71.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 110.249 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.581 HD12 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.16 -44.41 84.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.777 -1.202 . . . . 0.0 109.988 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.645 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.44 -37.83 86.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.658 -1.276 . . . . 0.0 109.907 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' S' ' 14' ' ' LYS . 11.6 p -61.37 -42.53 98.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 108.391 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -78.51 -14.59 59.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.592 -0.692 . . . . 0.0 109.956 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 25.6 ttt85 -87.89 8.55 25.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 52.4 t30 66.0 21.84 11.26 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.587 ' CD1' HD11 ' S' ' 17' ' ' LEU . 2.4 tm? -153.79 114.43 4.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -81.34 171.66 14.52 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.259 -0.901 . . . . 0.0 111.743 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.655 ' HA ' ' HD2' ' S' ' 34' ' ' ARG . 0.0 OUTLIER -103.54 137.9 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.391 -0.818 . . . . 0.0 111.619 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -25.8 -103.64 0.0 OUTLIER Glycine 0 N--CA 1.501 3.02 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.805 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.65 -73.5 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.497 -1.335 . . . . 0.0 111.017 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.541 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.95 162.66 8.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.029 -1.277 . . . . 0.0 111.277 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.508 ' NZ ' ' HA ' ' S' ' 28' ' ' LYS . 3.0 tptp -51.74 -46.97 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.637 -0.665 . . . . 0.0 111.255 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.466 ' HB2' HD13 ' S' ' 27' ' ' LEU . 12.6 m-20 -63.75 -41.08 98.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.685 -1.259 . . . . 0.0 109.812 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.541 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 33.9 mm-40 -56.41 -38.03 70.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.696 -1.253 . . . . 0.0 108.247 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.596 ' HA ' ' CG1' ' S' ' 24' ' ' VAL . 0.3 OUTLIER -65.71 -47.71 74.45 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.796 0.808 . . . . 0.0 109.727 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.477 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.216 179.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 44.7 mt-30 -67.64 -39.37 84.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.302 -0.874 . . . . 0.0 110.622 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.655 ' HD2' ' HA ' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -65.34 -45.34 84.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.939 -1.1 . . . . 0.0 110.605 -179.289 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.667 ' HB3' ' CG ' ' S' ' 5' ' ' TYR . 43.6 mt -69.46 -46.99 65.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.911 -1.516 . . . . 0.0 110.437 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.533 ' O ' ' CG ' ' S' ' 40' ' ' GLU . 48.7 mt -69.5 -42.93 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 110.796 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 1.6 mtpm? -70.07 -41.45 74.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.912 -1.118 . . . . 0.0 109.613 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 34.7 t70 -71.94 -41.92 67.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.488 -0.758 . . . . 0.0 110.295 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 15.1 t0 -72.76 -36.5 67.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.306 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' S' ' 36' ' ' ILE . 7.1 mm-40 -55.62 -43.58 76.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.108 -0.995 . . . . 0.0 110.045 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.07 96.41 6.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.259 -0.901 . . . . 0.0 110.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 42' ' ' SER . . . . . 0.492 ' O ' ' N ' ' S' ' 44' ' ' GLY . 11.3 m -86.69 65.9 9.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 110.281 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm 52.94 -88.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 110.238 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' S' ' 42' ' ' SER . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.21 16.57 5.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -1.154 . . . . 0.0 110.238 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.7 120.47 18.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 110.246 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' S' ' 8' ' ' LEU . 0.6 OUTLIER -128.9 -95.12 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.235 -0.915 . . . . 0.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 5' ' ' TYR . . . . . 0.651 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 11.6 m-85 -49.97 -28.4 6.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.763 -0.585 . . . . 0.0 111.837 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 6' ' ' SER . . . . . 0.567 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.83 -61.49 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 95.3 p -153.51 55.73 0.75 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.97 -1.082 . . . . 0.0 111.352 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . 0.607 ' N ' ' CD2' ' S' ' 8' ' ' LEU . 0.2 OUTLIER -74.19 177.28 5.89 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.593 -1.317 . . . . 0.0 109.237 179.068 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 9' ' ' THR . . . . . 0.553 ' O ' HD13 ' S' ' 13' ' ' LEU . 1.7 t -82.49 146.35 29.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.992 -1.068 . . . . 0.0 108.335 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -48.93 -37.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 120.786 -1.197 . . . . 0.0 111.119 -178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 11' ' ' VAL . . . . . 0.528 ' CG1' HG22 ' S' ' 9' ' ' THR . 10.7 p -65.52 -46.2 90.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.818 -1.176 . . . . 0.0 110.645 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 12' ' ' GLN . . . . . 0.56 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -73.06 -35.04 66.62 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.717 -1.24 . . . . 0.0 110.09 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 13' ' ' LEU . . . . . 0.588 ' CD2' ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.64 -39.5 80.72 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.483 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.7 tttt -69.96 -30.77 68.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.8 -49.71 69.6 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.203 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 16' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -65.49 -45.24 84.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.767 -1.208 . . . . 0.0 109.914 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 17' ' ' LEU . . . . . 0.728 ' HG ' ' CD2' ' S' ' 35' ' ' LEU . 7.4 mt -67.54 -34.66 77.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.109 . . . . 0.0 110.076 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 18' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 13.7 m -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -13.82 59.65 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 120.204 -0.599 . . . . 0.0 109.424 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 12.1 ttt-85 -87.4 7.76 27.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.392 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 21' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t30 64.7 18.66 11.53 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 22' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 2.8 tm? -150.18 120.14 7.16 Favored 'General case' 0 C--O 1.201 -1.469 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 23' ' ' SER . . . . . 0.552 ' O ' ' CD1' ' S' ' 22' ' ' LEU . 0.9 OUTLIER -77.78 -166.98 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.733 -1.229 . . . . 0.0 110.567 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 24' ' ' VAL . . . . . 0.604 ' CG1' ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.67 164.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 110.413 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.547 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -55.86 -136.34 0.0 OUTLIER Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.9 -82.35 1.16 Allowed Glycine 0 N--CA 1.493 2.453 0 O-C-N 120.787 -1.42 . . . . 0.0 111.045 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 27' ' ' LEU . . . . . 0.528 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.93 165.28 5.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.081 -1.246 . . . . 0.0 111.497 -178.47 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 5.8 tptp -52.36 -47.21 66.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.346 -0.846 . . . . 0.0 110.527 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 29' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.4 m-20 -61.33 -36.71 80.9 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.251 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 30' ' ' GLU . . . . . 0.528 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 29.5 mm-40 -59.36 -41.23 88.77 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.224 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 31' ' ' LEU . . . . . 0.559 ' CD1' ' HB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.07 -48.43 78.69 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.414 -0.804 . . . . 0.0 109.156 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 32' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.23 -45.84 95.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 109.716 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.3 mt-30 -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 110.316 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 34' ' ' ARG . . . . . 0.589 ' HG2' ' CD1' ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.88 -43.91 74.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.936 -1.103 . . . . 0.0 111.107 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 35' ' ' LEU . . . . . 0.728 ' CD2' ' HG ' ' S' ' 17' ' ' LEU . 25.4 mt -69.38 -47.61 63.74 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.374 -1.454 . . . . 0.0 109.76 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' S' ' 32' ' ' VAL . 5.1 mt -68.13 -42.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 110.281 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tptp -71.05 -46.53 61.81 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.031 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t70 -69.09 -35.73 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.177 -0.952 . . . . 0.0 110.381 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 39' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 13.9 t70 -73.31 -30.03 63.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.241 -0.912 . . . . 0.0 110.41 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -63.45 -48.95 75.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 110.133 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' S' ' 42' ' ' SER . 0.6 OUTLIER -55.36 166.57 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 42' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' S' ' 41' ' ' GLU . 0.1 OUTLIER 65.83 43.02 3.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.233 -0.917 . . . . 0.0 110.187 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -74.62 -65.12 0.9 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.952 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.374 0.607 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.663 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 6.0 m-85 -50.43 -30.45 12.54 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.791 -0.568 . . . . 0.0 111.471 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.652 ' O ' HG22 ' S' ' 32' ' ' VAL . 1.0 OUTLIER -3.11 -64.38 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 9.6 m -153.19 48.15 0.7 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.019 -1.051 . . . . 0.0 111.415 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.952 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -63.51 170.75 2.94 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 118.071 -1.452 . . . . 0.0 108.187 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.855 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.29 153.29 38.01 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.24 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.486 ' H ' HG12 ' S' ' 10' ' ' VAL . 0.4 OUTLIER -48.57 -27.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.663 -1.273 . . . . 0.0 109.334 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.482 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 3.5 t -66.95 -43.94 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 110.167 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.594 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.27 -44.71 62.41 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.853 -1.154 . . . . 0.0 109.676 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.941 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.4 mp -55.99 -43.77 77.96 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.381 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' S' ' 18' ' ' THR . 4.6 tttt -68.78 -31.29 70.2 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.486 -0.759 . . . . 0.0 109.586 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 2.0 t70 -69.73 -49.92 48.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.937 ' CD1' HD22 ' S' ' 35' ' ' LEU . 0.2 OUTLIER -66.51 -44.17 83.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.775 -1.203 . . . . 0.0 110.248 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.049 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -64.0 -37.99 89.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.987 -1.07 . . . . 0.0 109.556 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 18' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 14.0 m -61.54 -44.38 97.15 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.219 -0.926 . . . . 0.0 108.782 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -13.58 59.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.455 -0.778 . . . . 0.0 110.069 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.8 mtt-85 -88.24 8.69 26.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.92 . . . . 0.0 110.239 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.0 OUTLIER 64.25 18.02 11.05 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.162 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 1.049 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -147.14 112.01 5.38 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.67 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -82.64 175.0 10.5 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.302 -0.874 . . . . 0.0 112.046 -178.387 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 0.763 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.657 -0.652 . . . . 0.0 110.123 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.513 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.902 0.382 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.32 -40.28 95.59 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.686 -1.259 . . . . 0.0 108.935 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.88 -39.75 82.37 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.919 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -60.77 -47.79 84.74 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 1.05 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.8 OUTLIER -59.18 -44.68 92.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.655 0.74 . . . . 0.0 109.407 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 25.0 mt-30 -66.91 -36.52 82.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.467 -0.771 . . . . 0.0 110.391 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.869 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -65.42 -43.95 88.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.094 . . . . 0.0 109.936 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.941 ' CD1' HD23 ' S' ' 13' ' ' LEU . 42.8 mt -68.76 -48.52 63.51 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.575 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 1.05 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.97 -45.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.494 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -62.41 -43.9 97.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 109.244 179.265 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 21.8 t70 -71.48 -35.64 70.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.711 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.499 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.8 t70 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.498 -0.751 . . . . 0.0 110.461 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 1.025 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.122 0.487 . . . . 0.0 110.656 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.756 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.9 m-85 -49.65 -32.07 12.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.628 -0.67 . . . . 0.0 111.468 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 13.9 t 1.99 -70.08 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 CA-C-O 121.23 0.538 . . . . 0.0 112.117 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.574 ' N ' ' O ' ' S' ' 5' ' ' TYR . 10.4 t -151.92 56.84 0.85 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.213 -0.929 . . . . 0.0 110.68 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 1.025 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -72.0 175.19 6.11 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.73 -1.231 . . . . 0.0 109.371 179.377 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.635 ' O ' HD12 ' S' ' 13' ' ' LEU . 2.3 m -77.04 142.48 39.85 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.939 HG22 ' HD2' ' S' ' 28' ' ' LYS . 16.0 t -49.01 -36.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.758 -1.214 . . . . 0.0 110.365 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.603 ' H ' HG22 ' S' ' 9' ' ' THR . 0.3 OUTLIER -64.84 -45.9 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.095 . . . . 0.0 110.117 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.92 -34.91 66.89 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.804 -1.185 . . . . 0.0 110.152 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.922 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.34 -39.61 79.94 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.44 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 5.0 mtpt -70.46 -30.8 67.72 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.47 -49.8 70.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.874 HD12 HD22 ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.76 -44.73 80.66 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.795 -1.191 . . . . 0.0 109.818 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.117 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -64.1 -37.4 87.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.902 -1.124 . . . . 0.0 109.332 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -61.37 -43.72 98.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.199 -0.938 . . . . 0.0 108.849 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -78.0 -14.16 59.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.563 -0.711 . . . . 0.0 109.84 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 5.1 mtt-85 -87.9 7.87 28.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.321 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.8 OUTLIER 64.93 19.23 11.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 1.117 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -148.94 113.39 5.29 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.709 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.88 174.89 10.0 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.238 -0.914 . . . . 0.0 112.231 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 0.78 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.791 -0.568 . . . . 0.0 110.019 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.939 ' HD2' HG22 ' S' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.384 0.612 . . . . 0.0 109.494 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -63.56 -41.5 98.42 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.72 -1.238 . . . . 0.0 108.637 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -56.67 -36.78 69.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.902 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.93 -47.67 79.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.46 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -59.83 -45.26 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-O 121.63 0.728 . . . . 0.0 109.845 178.824 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 69.4 mt-30 -67.05 -35.7 80.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.836 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -68.71 -45.21 72.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.895 -1.128 . . . . 0.0 110.749 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.922 ' CD1' HD23 ' S' ' 13' ' ' LEU . 20.7 mt -69.44 -47.22 64.75 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 117.841 -1.544 . . . . 0.0 109.799 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.5 -45.16 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.625 -0.672 . . . . 0.0 111.113 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -69.1 -40.63 78.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.915 -1.115 . . . . 0.0 109.72 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 36.0 t70 -71.58 -42.93 67.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 110.119 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.3 t70 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.317 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.941 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.209 0.528 . . . . 0.0 110.382 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.654 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.3 m-85 -50.03 -29.87 9.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.8 -0.562 . . . . 0.0 111.137 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 9.9 t -6.55 -60.58 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.59 ' N ' ' O ' ' S' ' 5' ' ' TYR . 19.3 m -152.96 49.67 0.73 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.062 -1.055 . . . . 0.0 111.735 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.981 HD12 HD21 ' S' ' 16' ' ' LEU . 0.1 OUTLIER -69.71 169.05 13.64 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 117.894 -1.523 . . . . 0.0 108.424 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.909 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.31 156.61 35.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.563 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.62 -28.13 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.629 -1.294 . . . . 0.0 109.602 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.475 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.1 t -67.11 -43.98 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 110.334 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.4 OUTLIER -72.21 -45.04 61.95 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.865 -1.147 . . . . 0.0 109.62 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.929 HD22 ' HB3' ' S' ' 31' ' ' LEU . 1.5 mp -56.02 -43.79 78.09 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.853 -1.139 . . . . 0.0 108.372 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.2 tttt -69.31 -31.36 69.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.453 -0.779 . . . . 0.0 109.897 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 0.3 OUTLIER -70.07 -50.38 41.55 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.988 . . . . 0.0 110.607 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.981 HD21 HD12 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -65.58 -43.94 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.831 -1.168 . . . . 0.0 110.131 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.039 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.05 -39.01 93.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.931 -1.106 . . . . 0.0 109.626 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.7 m -60.94 -43.98 97.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.081 -1.012 . . . . 0.0 108.831 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.05 -13.98 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.192 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.9 mtt-85 -88.46 9.39 23.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.17 -0.956 . . . . 0.0 110.266 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.4 OUTLIER 64.03 18.55 11.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -178.2 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 1.039 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -147.7 112.74 5.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.694 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.11 174.93 10.38 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.384 -0.823 . . . . 0.0 112.125 -178.416 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 0.782 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.661 -0.649 . . . . 0.0 110.12 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.566 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 3.9 tptp . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.064 0.459 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.53 -37.19 86.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.524 -1.36 . . . . 0.0 108.659 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -59.87 -38.23 81.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.929 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -61.39 -48.21 82.26 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.228 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 1.052 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.77 -44.61 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 121.554 0.692 . . . . 0.0 109.843 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 77.8 mt-30 -66.08 -35.9 81.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.347 -0.846 . . . . 0.0 110.272 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.861 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -66.43 -43.8 84.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.045 -1.034 . . . . 0.0 110.047 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.941 HD22 ' CD1' ' S' ' 16' ' ' LEU . 38.8 mt -68.55 -48.29 64.67 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 118.308 -1.357 . . . . 0.0 110.38 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 1.052 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.63 -44.52 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.476 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -66.19 -45.05 82.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.012 -1.055 . . . . 0.0 109.587 179.475 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 30.8 t0 -71.67 -38.65 70.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.541 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 6.2 t70 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.0 110.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 1.049 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.34 0.591 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.84 ' CE1' HD13 ' S' ' 16' ' ' LEU . 13.6 m-85 -49.96 -34.15 19.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 111.284 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.574 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER 4.12 -70.92 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 CA-C-O 121.201 0.524 . . . . 0.0 112.1 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.593 ' N ' ' O ' ' S' ' 5' ' ' TYR . 2.4 t -151.9 55.9 0.84 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.151 -0.968 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 1.049 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.04 177.08 5.93 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.723 -1.236 . . . . 0.0 109.454 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.908 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.4 t -77.77 140.46 39.46 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.592 HG22 ' HD2' ' S' ' 28' ' ' LYS . 9.7 t -48.79 -34.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.687 -1.258 . . . . 0.0 110.739 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.557 HG13 ' N ' ' S' ' 12' ' ' GLN . 4.3 p -64.82 -45.72 94.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 120.937 -1.102 . . . . 0.0 110.416 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.87 ' OE1' HD13 ' S' ' 8' ' ' LEU . 0.0 OUTLIER -73.25 -36.77 66.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.631 -1.293 . . . . 0.0 110.395 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 1.171 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.6 OUTLIER -58.07 -39.65 79.02 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.701 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -68.59 -30.49 69.26 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 26.3 t0 -68.18 -49.62 59.7 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.84 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -62.18 -44.03 97.51 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.598 -1.314 . . . . 0.0 109.488 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.065 ' CD1' HG13 ' S' ' 24' ' ' VAL . 8.0 mt -70.11 -33.65 72.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.746 -1.221 . . . . 0.0 110.157 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -59.09 -41.88 89.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -16.56 57.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.703 -0.623 . . . . 0.0 109.358 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.515 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 6.1 ttt180 -86.95 -0.22 56.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.7 OUTLIER 67.82 22.13 8.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.028 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.781 ' O ' HD22 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -149.37 94.29 2.19 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.3 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.062 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -53.0 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.613 -1.304 . . . . 0.0 110.856 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.065 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 110.819 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.592 ' HD2' HG22 ' S' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.934 0.397 . . . . 0.0 111.103 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.95 -43.65 98.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.658 -1.276 . . . . 0.0 109.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 30' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' S' ' 30' ' ' GLU . 11.2 mm-40 -56.31 -38.99 72.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.503 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.89 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.56 -46.84 88.2 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.186 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.5 OUTLIER -59.17 -44.25 91.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.622 -0.673 . . . . 0.0 109.331 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.9 OUTLIER -67.86 -37.26 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.481 -0.762 . . . . 0.0 111.153 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.901 ' HG2' HD11 ' S' ' 17' ' ' LEU . 6.9 ttm180 -69.93 -44.65 69.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.847 -1.158 . . . . 0.0 110.867 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 1.171 ' CD1' HD23 ' S' ' 13' ' ' LEU . 11.8 mt -71.52 -46.69 58.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.025 -1.047 . . . . 0.0 110.582 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.502 HD12 HG13 ' S' ' 32' ' ' VAL . 55.4 mt -68.63 -41.27 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.775 . . . . 0.0 110.059 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 47.7 tttm -70.79 -39.2 73.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.212 -0.93 . . . . 0.0 109.684 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 2.6 m-20 -71.64 -47.29 55.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.897 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 1.086 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.158 0.504 . . . . 0.0 110.502 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.811 ' CE1' HD13 ' S' ' 16' ' ' LEU . 13.5 m-85 -51.05 -35.87 36.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.617 -0.677 . . . . 0.0 111.659 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.581 ' C ' ' O ' ' S' ' 5' ' ' TYR . 8.2 m 8.07 -74.97 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.231 0.538 . . . . 0.0 111.836 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.585 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -152.32 55.49 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.259 -0.901 . . . . 0.0 110.713 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 1.086 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.3 OUTLIER -70.51 179.38 2.55 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.472 179.462 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.782 HG22 ' H ' ' S' ' 11' ' ' VAL . 2.2 m -77.48 136.61 38.36 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.27 -28.21 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.723 -1.235 . . . . 0.0 109.901 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.782 ' H ' HG22 ' S' ' 9' ' ' THR . 0.4 OUTLIER -70.1 -46.02 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 109.63 178.796 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.665 ' OE1' HD23 ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.68 -35.57 67.7 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.813 -1.179 . . . . 0.0 109.588 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 1.118 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.56 -43.69 89.45 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.69 -30.37 70.6 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 177.454 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 6.8 t0 -68.38 -49.98 56.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.492 -0.755 . . . . 0.0 110.596 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -60.64 -43.45 97.55 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.527 -1.358 . . . . 0.0 109.216 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 0.998 HD12 HG12 ' S' ' 24' ' ' VAL . 10.4 mt -70.99 -33.08 70.06 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.863 -1.148 . . . . 0.0 110.375 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.0 -18.84 52.96 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' S' ' 21' ' ' ASN . 9.5 ttt180 -87.08 -6.24 58.76 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.375 -0.828 . . . . 0.0 110.27 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 2.6 t30 69.83 21.67 6.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.944 HD13 ' O ' ' S' ' 22' ' ' LEU . 2.0 tm? -143.41 71.06 1.32 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.55 0.691 . . . . 0.0 109.352 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.538 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.9 OUTLIER -39.2 151.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.22 -0.925 . . . . 0.0 111.818 -178.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 0.998 HG12 HD12 ' S' ' 17' ' ' LEU . 34.5 m . . . . . 0 C--N 1.3 -1.576 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.588 ' HE3' HD13 ' S' ' 13' ' ' LEU . 1.1 tptm . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.71 -30.86 70.47 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 30' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' S' ' 34' ' ' ARG . 5.3 mm-40 -65.66 -34.34 77.99 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.936 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -66.49 -48.29 70.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.034 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.813 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -62.24 -44.97 99.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-O 121.526 0.679 . . . . 0.0 109.824 179.315 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 40.2 mt-30 -68.0 -41.27 82.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.469 -0.77 . . . . 0.0 110.95 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.808 ' HG2' HD11 ' S' ' 17' ' ' LEU . 2.3 ttm180 -64.59 -45.79 85.45 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.95 -1.094 . . . . 0.0 110.947 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 1.118 ' CD1' HD23 ' S' ' 13' ' ' LEU . 10.4 mt -72.33 -47.62 48.32 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.471 -1.291 . . . . 0.0 111.091 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.813 HD12 ' O ' ' S' ' 32' ' ' VAL . 20.9 mt -70.26 -42.54 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 0.0 110.662 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.6 OUTLIER -70.46 -42.01 72.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.963 -1.086 . . . . 0.0 109.697 179.23 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 27.2 t0 -71.75 -40.73 69.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.514 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 26.6 t0 . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.251 -0.906 . . . . 0.0 110.417 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.988 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.242 0.544 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.859 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.3 m-85 -49.88 -29.48 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.807 -0.558 . . . . 0.0 111.383 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.4 OUTLIER -5.17 -62.23 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -152.64 50.72 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.003 -1.06 . . . . 0.0 111.66 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.988 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -72.06 166.9 21.32 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 118.034 -1.466 . . . . 0.0 108.346 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.528 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -75.31 153.95 37.61 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.77 -27.61 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 120.873 -1.142 . . . . 0.0 109.397 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 t -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.488 -0.758 . . . . 0.0 110.285 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.612 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.49 -45.57 58.85 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 118.709 -1.196 . . . . 0.0 109.66 -179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' S' ' 31' ' ' LEU . 1.6 mp -56.54 -43.85 80.28 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.468 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.506 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 10.4 tttt -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.406 -0.809 . . . . 0.0 109.24 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -50.34 45.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 110.768 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -61.74 -45.41 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.665 -1.272 . . . . 0.0 109.912 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.049 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.5 mt -68.47 -33.8 74.81 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.212 -0.93 . . . . 0.0 110.206 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -59.45 -43.97 93.07 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -14.69 58.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.662 -0.649 . . . . 0.0 109.876 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.547 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.2 ttt180 -87.38 -0.71 57.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.212 -0.93 . . . . 0.0 110.363 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 13.2 t-20 66.81 22.67 10.21 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.725 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.2 tm? -148.89 86.56 1.51 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.02 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -50.07 -172.43 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.018 -1.051 . . . . 0.0 111.075 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.049 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.597 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.501 ' HE2' ' O ' ' S' ' 8' ' ' LEU . 5.2 tptp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.25 -41.71 98.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.633 -1.292 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.28 -41.0 75.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.367 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.912 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.12 -48.81 79.91 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 121.306 -0.871 . . . . 0.0 108.701 178.527 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 1.035 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.65 -44.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.534 -0.728 . . . . 0.0 109.407 179.137 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.1 OUTLIER -67.1 -36.12 81.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.366 -0.834 . . . . 0.0 110.77 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.89 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.1 ttm180 -68.16 -43.97 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.771 -1.206 . . . . 0.0 110.948 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.759 ' CD1' HD23 ' S' ' 13' ' ' LEU . 16.6 mt -70.32 -47.81 59.41 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.282 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 1.035 HD12 ' O ' ' S' ' 32' ' ' VAL . 4.5 mt -70.55 -44.2 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.428 -0.795 . . . . 0.0 110.781 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.8 OUTLIER -68.41 -42.84 78.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.939 -1.1 . . . . 0.0 109.639 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 32.7 t70 -71.54 -35.64 70.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.78 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 6.7 t70 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 1.02 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.196 0.522 . . . . 0.0 110.23 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.741 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.4 m-85 -50.05 -32.71 16.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.689 -0.632 . . . . 0.0 111.428 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER 1.28 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-O 121.106 0.479 . . . . 0.0 112.172 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.581 ' N ' ' O ' ' S' ' 5' ' ' TYR . 26.8 t -151.36 53.91 0.85 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -0.981 . . . . 0.0 111.176 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 1.02 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.3 OUTLIER -69.64 175.98 3.84 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.709 -1.244 . . . . 0.0 108.889 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.712 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.2 t -77.33 139.24 39.72 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.552 HG23 ' HG ' ' S' ' 31' ' ' LEU . 3.9 p -48.3 -32.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 120.724 -1.235 . . . . 0.0 110.919 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 3.7 p -66.5 -45.94 87.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.768 -1.208 . . . . 0.0 110.054 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.712 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.23 -33.68 65.47 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.744 -1.223 . . . . 0.0 109.395 179.234 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.927 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.07 -39.51 78.7 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.297 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 13.8 mtpt -70.88 -31.46 68.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.86 -49.76 71.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.156 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.877 HD12 HD22 ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.37 -44.76 82.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.752 -1.218 . . . . 0.0 109.85 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.093 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.44 -37.94 89.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.841 -1.162 . . . . 0.0 109.31 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 21.3 m -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.041 -1.037 . . . . 0.0 108.69 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -78.16 -13.04 60.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.972 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 11.9 ttt-85 -88.2 8.04 29.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.947 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.6 OUTLIER 65.8 19.54 11.35 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -178.526 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 1.093 HD13 HD13 ' S' ' 17' ' ' LEU . 2.4 tm? -150.96 116.16 5.33 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.71 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -85.13 174.11 9.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.345 -0.847 . . . . 0.0 112.103 -178.536 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 0.8 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.699 -0.626 . . . . 0.0 110.107 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.28 0.562 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -67.44 -43.75 80.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 109.215 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.22 -37.11 69.25 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.862 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.41 -47.6 81.3 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.469 ' O ' HG13 ' S' ' 36' ' ' ILE 0.258 1.0 OUTLIER -60.71 -45.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.683 0.754 . . . . 0.0 109.731 179.606 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 29.2 mt-30 -67.55 -35.5 79.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.845 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -66.57 -44.99 80.76 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.072 -1.017 . . . . 0.0 110.435 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.927 ' CD1' HD23 ' S' ' 13' ' ' LEU . 25.7 mt -69.64 -47.79 62.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 117.84 -1.544 . . . . 0.0 109.961 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.469 HG13 ' O ' ' S' ' 32' ' ' VAL . 24.5 mt -69.16 -44.61 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 110.88 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -68.46 -40.56 80.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.747 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t0 -71.81 -47.32 54.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 110.363 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.2 t70 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 110.233 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.903 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.43 0.633 . . . . 0.0 110.253 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.771 ' CE1' HD13 ' S' ' 16' ' ' LEU . 7.3 m-85 -50.69 -26.46 5.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.736 -0.603 . . . . 0.0 111.407 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -11.22 -55.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.013 0.435 . . . . 0.0 112.142 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.589 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -154.43 48.8 0.6 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.876 -1.14 . . . . 0.0 111.814 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.903 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -70.86 166.14 21.74 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 117.864 -1.535 . . . . 0.0 108.319 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.842 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.3 156.59 35.43 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.717 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 1.1 p -49.74 -28.32 3.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.72 -1.238 . . . . 0.0 109.355 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.422 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.8 t -66.45 -44.49 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 110.319 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.3 -44.92 62.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.89 -1.131 . . . . 0.0 109.795 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.903 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.2 mp -55.93 -43.78 77.73 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.806 -1.158 . . . . 0.0 108.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.734 ' O ' HG23 ' S' ' 18' ' ' THR . 0.0 OUTLIER -68.35 -32.9 73.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -0.797 . . . . 0.0 109.969 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.471 ' O ' ' OG1' ' S' ' 18' ' ' THR . 0.2 OUTLIER -67.19 -50.57 60.48 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.914 -1.116 . . . . 0.0 110.571 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.833 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.4 -44.38 94.84 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.706 -1.246 . . . . 0.0 109.626 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.077 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.4 mt -68.89 -33.78 74.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 110.676 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 18' ' ' THR . . . . . 0.734 HG23 ' O ' ' S' ' 14' ' ' LYS . 4.5 p -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.832 -1.167 . . . . 0.0 108.399 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 19' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -78.78 -12.13 60.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 109.923 179.058 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.617 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 9.4 mtt-85 -87.08 4.1 43.48 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.236 -0.915 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 69.42 17.94 7.99 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.918 ' CD1' HD22 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -149.95 114.6 5.28 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.006 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -72.12 -167.66 0.33 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.181 -0.95 . . . . 0.0 110.769 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.077 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.721 0.772 . . . . 0.0 111.278 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 1.6 mmmm . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 120.78 0.324 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -65.75 -43.85 87.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.921 -1.112 . . . . 0.0 109.975 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -56.31 -36.91 69.21 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.794 -1.162 . . . . 0.0 108.147 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.896 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -67.0 -48.29 68.88 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.424 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 1.049 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.18 -45.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.627 0.727 . . . . 0.0 109.385 179.435 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 27.2 mt-30 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.48 -0.762 . . . . 0.0 110.439 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.941 ' HG2' HD11 ' S' ' 17' ' ' LEU . 2.6 ttm105 -67.18 -43.97 80.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.875 -1.141 . . . . 0.0 110.784 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.903 ' CD1' HD23 ' S' ' 13' ' ' LEU . 22.3 mt -68.95 -47.75 64.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.813 -1.179 . . . . 0.0 110.29 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 1.049 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.5 mt -69.63 -39.43 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.969 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.2 OUTLIER -70.57 -41.26 72.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.979 . . . . 0.0 109.385 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 4.3 m-20 -71.59 -38.19 70.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.479 -0.763 . . . . 0.0 110.007 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 4.0 t70 . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 110.362 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 1.005 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.207 0.527 . . . . 0.0 110.555 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.731 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.9 m-85 -49.12 -29.09 4.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.635 -0.666 . . . . 0.0 111.52 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 43.1 m -3.81 -64.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.063 0.458 . . . . 0.0 112.102 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 45.5 m -153.17 56.17 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.111 -0.993 . . . . 0.0 111.011 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 1.005 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.47 173.38 10.41 Favored 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.409 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.677 ' O ' HD12 ' S' ' 13' ' ' LEU . 2.4 m -76.83 142.95 40.06 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.41 HG13 ' N ' ' S' ' 11' ' ' VAL . 3.8 p -49.0 -37.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 120.724 -1.235 . . . . 0.0 110.523 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.603 ' H ' HG22 ' S' ' 9' ' ' THR . 0.3 OUTLIER -65.1 -45.43 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.939 -1.1 . . . . 0.0 110.112 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.5 -35.23 68.08 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.83 -1.169 . . . . 0.0 110.063 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.923 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.7 -39.36 80.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -69.68 -30.66 68.38 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 6.6 t0 -65.79 -50.18 65.61 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.783 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.52 -45.17 91.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.771 -1.206 . . . . 0.0 109.622 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.059 HD13 ' O ' ' S' ' 23' ' ' SER . 7.0 mt -68.09 -33.76 75.12 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.933 -1.104 . . . . 0.0 110.153 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -59.43 -43.36 93.12 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -14.29 59.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.689 -0.632 . . . . 0.0 109.379 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 8.6 ttt-85 -87.39 0.38 55.56 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.413 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.83 23.3 11.41 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.526 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.782 HD13 ' O ' ' S' ' 23' ' ' SER . 3.3 tm? -150.83 91.18 1.69 Allowed 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.059 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -52.53 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.557 -1.34 . . . . 0.0 110.855 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.04 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 110.753 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.567 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.424 0.63 . . . . 0.0 109.49 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -67.29 -43.63 81.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.989 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -55.38 -33.81 63.77 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.068 -1.02 . . . . 0.0 108.528 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.894 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -70.2 -48.55 56.64 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.815 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.57 -45.33 86.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 179.014 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 82.7 mt-30 -67.45 -36.0 80.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.474 -0.766 . . . . 0.0 110.748 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.923 ' HG2' HD11 ' S' ' 17' ' ' LEU . 12.2 ttm180 -68.92 -43.89 74.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.821 -1.175 . . . . 0.0 111.141 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.923 ' CD1' HD23 ' S' ' 13' ' ' LEU . 16.7 mt -70.03 -47.2 63.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 109.892 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.815 HD12 ' O ' ' S' ' 32' ' ' VAL . 21.9 mt -70.09 -42.7 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.841 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.17 -41.06 74.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.939 -1.1 . . . . 0.0 109.694 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 62.0 t0 -71.48 -41.18 69.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 110.021 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.511 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 9.3 t70 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.146 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.971 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 121.253 0.549 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.644 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.8 m-85 -50.85 -32.94 21.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.546 -0.721 . . . . 0.0 111.078 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.568 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER 3.01 -68.79 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.13 0.49 . . . . 0.0 111.887 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.62 ' N ' ' O ' ' S' ' 5' ' ' TYR . 33.5 t -154.47 49.16 0.61 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.132 -0.98 . . . . 0.0 111.328 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.971 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -63.1 172.93 1.59 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.276 -1.515 . . . . 0.0 108.143 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.484 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.2 OUTLIER -74.56 155.11 38.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.827 HG22 ' HD2' ' S' ' 28' ' ' LYS . 5.0 t -51.29 -27.8 6.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.607 -1.308 . . . . 0.0 109.392 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 5.4 t -68.03 -44.93 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.454 -0.779 . . . . 0.0 110.599 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -71.94 -42.54 66.51 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 118.893 -1.123 . . . . 0.0 109.213 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.906 HD11 ' HE3' ' S' ' 28' ' ' LYS . 14.2 mt -56.84 -43.99 81.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 20.6 mmtt -68.65 -32.16 71.8 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.435 -0.79 . . . . 0.0 109.318 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -49.58 62.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.925 HD21 HD12 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -64.58 -44.34 90.98 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.732 -1.23 . . . . 0.0 110.021 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.069 HD13 HD13 ' S' ' 22' ' ' LEU . 0.1 OUTLIER -64.55 -34.77 79.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.916 -1.115 . . . . 0.0 109.606 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 17.6 m -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.149 -0.97 . . . . 0.0 108.492 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -14.42 59.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -88.2 10.96 17.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.264 -0.897 . . . . 0.0 110.275 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' S' ' 20' ' ' ARG . 57.6 m-80 60.29 20.87 10.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 1.069 HD13 HD13 ' S' ' 17' ' ' LEU . 2.8 tm? -148.87 113.18 5.25 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.677 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.4 OUTLIER -83.42 173.77 11.23 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.431 -0.793 . . . . 0.0 112.318 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 0.735 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.684 -0.635 . . . . 0.0 109.865 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.906 ' HE3' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.175 0.512 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -63.77 -39.07 93.36 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.404 -1.435 . . . . 0.0 108.553 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.709 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.15 -47.27 86.97 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.319 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.977 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.85 -44.85 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 5.2 mm100 -66.34 -35.95 81.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 110.732 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.85 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -69.18 -44.65 71.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.914 HD22 ' CD1' ' S' ' 16' ' ' LEU . 35.1 mt -70.04 -49.1 54.63 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 118.667 -1.213 . . . . 0.0 111.088 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.977 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.0 mt -69.64 -38.1 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.403 -0.811 . . . . 0.0 110.398 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tttt -69.79 -37.88 76.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.006 -1.059 . . . . 0.0 108.766 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 38' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -72.27 -38.66 68.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.514 -0.741 . . . . 0.0 110.368 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.535 ' OD2' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.107 -0.996 . . . . 0.0 110.069 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.968 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.923 ' CE1' HD13 ' S' ' 16' ' ' LEU . 6.9 m-85 -50.37 -24.63 3.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.553 -0.717 . . . . 0.0 110.615 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.542 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER -10.75 -55.1 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.601 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.5 OUTLIER -153.91 44.29 0.57 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.741 -1.224 . . . . 0.0 112.491 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.968 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -77.96 157.55 29.67 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 117.439 -1.704 . . . . 0.0 107.946 177.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.462 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 16.1 p -75.64 162.87 27.88 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 118.781 -1.167 . . . . 0.0 108.01 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' S' ' 13' ' ' LEU . 3.3 m -50.4 -27.2 4.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 120.775 -1.203 . . . . 0.0 109.79 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -46.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.36 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.607 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.9 -44.25 61.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.756 -1.215 . . . . 0.0 108.72 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.982 HD11 ' HE3' ' S' ' 28' ' ' LYS . 9.9 mt -57.09 -40.9 77.9 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 72.8 tttt -69.18 -33.09 72.84 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.644 -0.66 . . . . 0.0 109.455 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -66.86 -50.04 63.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.982 . . . . 0.0 110.011 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.937 HD21 HD12 ' S' ' 8' ' ' LEU . 0.0 OUTLIER -61.75 -45.01 95.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.947 -1.096 . . . . 0.0 109.851 179.503 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.132 ' CD1' HG13 ' S' ' 24' ' ' VAL . 5.0 mt -68.65 -33.72 74.48 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.946 -1.096 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -59.62 -43.42 93.82 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -78.98 -16.59 56.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.722 -0.611 . . . . 0.0 109.79 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.585 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 3.8 ttt-85 -87.5 -5.77 58.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.308 -0.87 . . . . 0.0 110.335 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 3.8 t30 69.75 22.87 5.9 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.889 HD13 ' O ' ' S' ' 22' ' ' LEU . 2.5 tm? -146.03 80.79 1.58 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.904 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -47.6 -176.85 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.406 -0.808 . . . . 0.0 112.182 -178.325 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.132 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.982 ' HE3' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.166 0.508 . . . . 0.0 110.489 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -63.19 -39.13 93.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.466 -1.396 . . . . 0.0 108.623 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.33 -39.48 72.89 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.738 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.2 OUTLIER -61.13 -47.82 84.48 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.101 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.45 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -55.41 -43.21 70.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.659 178.663 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.9 mm-40 -67.45 -36.43 81.16 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.467 -0.771 . . . . 0.0 110.988 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.809 ' HG2' HD11 ' S' ' 17' ' ' LEU . 7.5 ttm180 -69.86 -44.44 69.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.755 -1.216 . . . . 0.0 111.178 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.778 HD22 HD12 ' S' ' 16' ' ' LEU . 13.7 mt -70.6 -47.85 58.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.004 -1.06 . . . . 0.0 110.684 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.534 ' HA ' ' OD1' ' S' ' 39' ' ' ASP . 39.8 mt -71.16 -39.77 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.478 -0.763 . . . . 0.0 110.667 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -70.3 -37.72 74.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.933 -1.104 . . . . 0.0 109.196 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 20.1 t0 -71.85 -45.05 62.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.435 -0.791 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.534 ' OD1' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 110.309 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.981 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.154 0.502 . . . . 0.0 110.637 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.89 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.4 m-85 -50.3 -29.01 8.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.623 -0.673 . . . . 0.0 111.443 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.576 ' C ' ' O ' ' S' ' 5' ' ' TYR . 1.0 OUTLIER -5.12 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.364 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.595 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -153.77 47.51 0.64 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.995 -1.066 . . . . 0.0 111.826 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.981 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -70.05 163.3 26.47 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 117.783 -1.567 . . . . 0.0 107.956 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.828 ' O ' HD12 ' S' ' 13' ' ' LEU . 3.1 m -75.19 156.48 35.79 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 5.5 p -49.17 -27.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.655 -1.278 . . . . 0.0 109.603 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.81 ' H ' HG22 ' S' ' 9' ' ' THR . 6.8 t -67.21 -44.09 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 0.0 110.247 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.28 -44.95 62.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.875 -1.141 . . . . 0.0 109.498 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.97 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.3 mp -56.22 -43.47 78.6 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.303 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 25.1 tttt -67.79 -32.01 72.29 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.502 -0.749 . . . . 0.0 109.727 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -68.48 -50.36 52.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 0.0 110.351 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.89 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -62.8 -44.94 94.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.814 -1.179 . . . . 0.0 109.928 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.081 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.1 mt -68.19 -34.08 75.61 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.285 -0.884 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -60.01 -45.37 93.0 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -78.97 -14.65 59.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.663 -0.648 . . . . 0.0 110.165 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.562 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 0.2 OUTLIER -87.59 -3.69 58.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.145 -0.972 . . . . 0.0 110.453 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 71.06 20.96 5.04 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.811 HD13 ' O ' ' S' ' 22' ' ' LEU . 1.1 tm? -146.81 86.64 1.66 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.955 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -49.1 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.365 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.081 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.72 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' S' ' 8' ' ' LEU . 5.5 tptm . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 29' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 2.1 m-20 -66.87 -41.14 87.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 30' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' S' ' 30' ' ' GLU . 3.7 mm-40 -55.93 -37.37 68.85 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.885 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.5 -48.5 72.37 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.318 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.422 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -56.64 -44.02 80.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.233 178.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 56.9 mt-30 -67.33 -38.06 84.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.534 -0.729 . . . . 0.0 110.883 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.897 ' HG2' HD11 ' S' ' 17' ' ' LEU . 3.5 ttm180 -66.75 -44.32 81.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.663 -1.273 . . . . 0.0 110.974 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.97 ' CD1' HD23 ' S' ' 13' ' ' LEU . 14.8 mt -70.01 -48.14 59.29 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.877 -1.139 . . . . 0.0 110.496 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.42 HD12 ' O ' ' S' ' 32' ' ' VAL . 55.4 mt -70.97 -40.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.7 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 11.9 tmtt? -69.32 -41.15 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 109.22 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 13.5 m-20 -71.99 -36.39 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -0.838 . . . . 0.0 110.125 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.478 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 3.2 t0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 110.61 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 1.08 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.19 0.519 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.943 ' CE1' HD13 ' S' ' 16' ' ' LEU . 15.8 m-85 -50.17 -35.15 25.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.667 -0.646 . . . . 0.0 111.967 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.7 OUTLIER 4.95 -72.09 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.134 0.492 . . . . 0.0 112.076 -179.666 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -150.84 57.75 0.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.176 -0.952 . . . . 0.0 110.851 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 1.08 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -77.87 -177.26 4.84 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.771 -1.205 . . . . 0.0 109.192 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.947 ' O ' HD12 ' S' ' 13' ' ' LEU . 40.1 p -81.48 136.5 35.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.181 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -48.14 -30.52 2.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.327 -1.483 . . . . 0.0 109.876 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -47.15 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.184 -0.948 . . . . 0.0 109.925 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.959 ' OE1' HD21 ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.95 -38.09 66.88 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 1.157 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.1 mp -57.37 -39.65 76.48 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.3 OUTLIER -67.27 -31.09 71.18 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 51.4 t0 -67.93 -49.85 59.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.262 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.959 HD21 ' OE1' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -60.76 -43.91 97.39 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.485 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.046 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.8 mt -70.09 -33.22 71.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.711 -1.243 . . . . 0.0 110.13 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.64 -41.8 86.84 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -17.17 56.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HD3' ' CD2' ' S' ' 17' ' ' LEU . 3.8 ttt85 -86.8 -3.42 59.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.425 -0.797 . . . . 0.0 110.42 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 66.42 23.32 10.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.778 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.3 tm? -147.43 81.22 1.52 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.877 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -45.61 177.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 111.038 -178.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.046 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.833 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.607 ' HE2' HD13 ' S' ' 13' ' ' LEU . 3.6 tptp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.84 0.352 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.42 -43.36 94.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.842 -1.161 . . . . 0.0 110.301 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -56.34 -38.24 71.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.84 -1.163 . . . . 0.0 108.552 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.923 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.19 -47.19 77.82 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.6 OUTLIER -60.28 -44.48 95.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.575 0.703 . . . . 0.0 109.608 179.052 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 7.6 mt-30 -67.66 -42.73 81.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.467 -0.771 . . . . 0.0 111.119 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.803 ' HG2' HD11 ' S' ' 17' ' ' LEU . 6.2 ttm-85 -64.58 -44.48 90.53 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.881 -1.137 . . . . 0.0 111.102 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 1.157 ' CD1' HD23 ' S' ' 13' ' ' LEU . 11.9 mt -70.98 -46.78 61.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.691 -1.256 . . . . 0.0 110.52 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.444 HG13 ' O ' ' S' ' 32' ' ' VAL . 62.7 mt -69.47 -43.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 110.547 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -70.72 -42.85 70.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.055 -1.028 . . . . 0.0 109.96 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 9.9 t0 -71.46 -46.23 60.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 43.5 t0 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.942 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.231 0.539 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.781 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.7 m-85 -49.4 -26.92 3.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.768 -0.583 . . . . 0.0 111.476 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.577 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -5.86 -62.14 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-O 121.074 0.464 . . . . 0.0 112.164 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 3.8 m -153.95 52.46 0.69 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.099 -1.001 . . . . 0.0 111.126 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.942 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -70.82 171.48 10.53 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.558 -1.339 . . . . 0.0 108.776 178.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.697 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.3 t -76.4 140.43 41.35 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.512 HG23 ' HG ' ' S' ' 31' ' ' LEU . 3.2 p -48.04 -33.84 4.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.863 -1.148 . . . . 0.0 111.0 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.543 HG13 ' N ' ' S' ' 12' ' ' GLN . 4.2 p -65.64 -45.57 91.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 120.831 -1.168 . . . . 0.0 110.042 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.697 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -72.69 -34.13 66.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 109.77 179.588 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.889 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.01 -40.18 80.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.326 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.541 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 14.2 mtmt -67.66 -32.68 73.53 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.512 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 9.4 t0 -65.55 -49.63 68.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 0.0 110.666 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.801 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.65 -44.88 89.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.643 -1.285 . . . . 0.0 109.781 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.061 HD13 ' O ' ' S' ' 23' ' ' SER . 7.5 mt -67.78 -34.63 77.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.894 -1.129 . . . . 0.0 110.013 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -59.89 -43.4 94.8 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -78.58 -13.54 59.78 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.589 -0.694 . . . . 0.0 109.532 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 18.7 ttt85 -87.2 7.93 26.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.376 -0.828 . . . . 0.0 110.265 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 8.9 t-20 64.36 19.42 11.79 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.912 HD13 ' O ' ' S' ' 23' ' ' SER . 2.7 tm? -151.19 123.12 8.13 Favored 'General case' 0 C--O 1.2 -1.503 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.061 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.8 OUTLIER -80.14 -168.1 1.54 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.691 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.053 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.295 -0.878 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.503 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.748 0.308 . . . . 0.0 111.261 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 29' ' ' ASN . . . . . 0.512 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.0 OUTLIER -62.34 -34.35 76.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.739 -1.225 . . . . 0.0 109.511 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.99 -38.3 85.77 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.91 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.03 -48.21 74.65 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.038 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' S' ' 36' ' ' ILE 0.25 0.8 OUTLIER -59.36 -45.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.314 179.37 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.4 -35.67 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.537 -0.727 . . . . 0.0 110.518 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.938 ' HG2' HD11 ' S' ' 17' ' ' LEU . 5.6 ttm105 -68.32 -43.58 77.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.931 -1.106 . . . . 0.0 110.855 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.889 ' CD1' HD23 ' S' ' 13' ' ' LEU . 21.3 mt -69.13 -47.13 65.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.533 -1.354 . . . . 0.0 109.669 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.471 HG13 ' O ' ' S' ' 32' ' ' VAL . 34.4 mt -68.09 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 110.113 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.91 -44.96 65.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.181 -0.949 . . . . 0.0 109.968 179.233 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 16.8 t70 -68.19 -42.72 79.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.928 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.518 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 8.9 t70 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.36 -0.837 . . . . 0.0 110.221 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.975 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.089 0.471 . . . . 0.0 110.341 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 1.038 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.1 m-85 -49.7 -28.33 5.88 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.618 -0.676 . . . . 0.0 110.75 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.525 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -14.41 -50.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 75.8 m -151.17 43.56 0.78 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.332 -1.347 . . . . 0.0 113.109 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.975 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -83.65 158.77 21.74 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 117.412 -1.715 . . . . 0.0 108.281 177.779 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 2.5 p -75.47 162.18 28.56 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.292 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.576 ' HA ' HD12 ' S' ' 13' ' ' LEU . 7.7 p -50.75 -27.3 4.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 120.964 -1.085 . . . . 0.0 109.296 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.479 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 14.6 t -67.97 -45.13 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.592 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.9 OUTLIER -71.76 -44.96 63.15 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 118.493 -1.283 . . . . 0.0 109.497 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.791 ' HB3' HD11 ' S' ' 35' ' ' LEU . 3.5 mt -57.46 -43.67 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.567 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 3.0 tppp? -66.3 -33.14 75.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.387 -0.82 . . . . 0.0 109.215 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.493 ' HA ' ' OG1' ' S' ' 18' ' ' THR . 0.1 OUTLIER -70.25 -49.12 53.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.343 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 1.038 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -59.89 -43.88 94.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 118.585 -1.246 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.048 ' CD1' HG13 ' S' ' 24' ' ' VAL . 7.6 mt -71.24 -34.04 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.544 -1.347 . . . . 0.0 110.966 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 18' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' S' ' 15' ' ' ASP . 0.7 OUTLIER -59.07 -40.47 85.31 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -79.2 -17.83 54.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.74 -0.6 . . . . 0.0 109.454 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 4.2 ttt180 -87.17 -4.4 59.11 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.86 . . . . 0.0 110.321 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 67.78 22.4 8.86 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.798 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.2 tm? -145.37 82.1 1.64 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.876 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -45.08 176.48 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.218 -0.926 . . . . 0.0 111.247 -178.389 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.048 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.721 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.881 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.576 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 6.7 tptm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.368 0.604 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -66.09 -43.64 86.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.041 . . . . 0.0 109.775 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.72 -35.99 66.73 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.119 -0.988 . . . . 0.0 108.534 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.928 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -66.23 -47.4 73.93 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.178 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.439 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -58.38 -43.94 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.562 0.696 . . . . 0.0 109.239 178.62 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 6.7 mm-40 -67.9 -43.67 78.75 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.462 -0.773 . . . . 0.0 111.402 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.743 ' HG2' HD11 ' S' ' 17' ' ' LEU . 5.5 ttm-85 -63.93 -44.08 93.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.809 -1.182 . . . . 0.0 110.913 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' S' ' 13' ' ' LEU . 12.7 mt -71.41 -47.33 56.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.12 -0.988 . . . . 0.0 110.691 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.439 HG13 ' O ' ' S' ' 32' ' ' VAL . 54.1 mt -69.57 -40.1 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.461 -0.774 . . . . 0.0 109.715 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 15.1 ttmt -70.73 -40.97 72.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 30.9 t0 -70.67 -43.5 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.297 -0.877 . . . . 0.0 109.825 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.7 t70 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.83 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 1.018 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.228 0.537 . . . . 0.0 110.592 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.82 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.8 m-85 -50.32 -29.86 10.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 0.0 111.416 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.8 OUTLIER 0.07 -67.15 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 121.068 0.461 . . . . 0.0 112.013 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.598 ' N ' ' O ' ' S' ' 5' ' ' TYR . 25.2 t -153.66 54.81 0.73 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.928 . . . . 0.0 111.004 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 1.018 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -71.85 177.05 4.46 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.636 -1.29 . . . . 0.0 109.265 179.239 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.769 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.5 t -81.67 143.91 31.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.77 -34.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.706 -1.246 . . . . 0.0 110.966 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.596 HG13 ' N ' ' S' ' 12' ' ' GLN . 11.3 p -66.66 -45.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.771 -1.206 . . . . 0.0 110.344 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.769 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.22 -34.75 66.09 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.701 -1.25 . . . . 0.0 109.83 179.566 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.953 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.4 -39.66 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.333 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.675 ' O ' HG23 ' S' ' 18' ' ' THR . 4.3 ttmm -70.12 -30.63 67.87 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' S' ' 18' ' ' THR . 22.5 t0 -65.51 -49.43 69.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.931 . . . . 0.0 110.183 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -64.77 -44.59 89.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.703 -1.248 . . . . 0.0 109.697 179.487 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.059 HD13 ' O ' ' S' ' 23' ' ' SER . 7.6 mt -68.02 -36.64 80.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.943 -1.098 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 18' ' ' THR . . . . . 0.675 HG23 ' O ' ' S' ' 14' ' ' LYS . 4.5 p -59.74 -42.09 92.4 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.71 -13.91 59.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.677 -0.639 . . . . 0.0 109.549 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 23.1 ttt85 -87.59 8.25 26.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.42 -0.8 . . . . 0.0 110.372 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.14 20.47 12.0 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.528 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.902 HD13 ' O ' ' S' ' 23' ' ' SER . 2.7 tm? -153.57 123.17 6.71 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.059 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -80.43 -167.89 1.51 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.77 -1.206 . . . . 0.0 110.626 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.045 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 110.354 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 4.6 tptm . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.96 0.41 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -65.37 -42.27 92.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.797 -1.189 . . . . 0.0 110.038 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.36 -37.68 70.38 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.76 -1.176 . . . . 0.0 108.336 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.885 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -64.26 -48.34 76.14 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.479 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.59 -45.79 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.545 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 2.8 mt-30 -67.03 -35.7 80.47 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.529 -0.732 . . . . 0.0 110.52 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.921 ' HG2' HD11 ' S' ' 17' ' ' LEU . 9.6 ttm180 -68.84 -44.0 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.001 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.953 ' CD1' HD23 ' S' ' 13' ' ' LEU . 23.3 mt -69.26 -47.23 65.26 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 118.098 -1.441 . . . . 0.0 109.807 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.479 HG13 ' O ' ' S' ' 32' ' ' VAL . 21.4 mt -68.81 -43.06 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 119.474 -0.89 . . . . 0.0 110.245 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -71.34 -47.17 58.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.012 -1.055 . . . . 0.0 110.24 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 29.3 t0 -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.472 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 9.1 t0 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.258 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.973 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.312 0.577 . . . . 0.0 110.474 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.752 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.0 m-85 -49.38 -27.37 3.98 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.635 -0.666 . . . . 0.0 111.274 -178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.2 -62.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 121.051 0.453 . . . . 0.0 112.124 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.579 ' N ' ' O ' ' S' ' 5' ' ' TYR . 8.7 m -153.31 54.5 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.12 -0.987 . . . . 0.0 111.1 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.973 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -73.03 174.98 7.1 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.657 -1.277 . . . . 0.0 109.043 179.165 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.748 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.2 t -81.6 143.75 31.73 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.411 HG13 ' N ' ' S' ' 11' ' ' VAL . 7.1 p -48.43 -35.78 6.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 120.785 -1.197 . . . . 0.0 111.088 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 2.6 p -66.23 -46.0 88.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 120.845 -1.16 . . . . 0.0 110.302 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.718 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -72.84 -34.8 67.02 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.604 -1.31 . . . . 0.0 109.881 179.771 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.951 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.57 -40.07 82.07 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.45 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.524 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 1.8 tttt -69.1 -30.99 69.4 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.611 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -65.5 -49.54 68.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 110.268 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.788 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.29 -45.15 89.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.654 -1.279 . . . . 0.0 109.757 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.062 HD13 ' O ' ' S' ' 23' ' ' SER . 7.4 mt -67.65 -34.41 76.9 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.803 -1.186 . . . . 0.0 109.966 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -78.44 -13.77 59.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.653 -0.654 . . . . 0.0 109.376 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 6.1 ttt85 -86.99 7.51 27.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.24 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 64.6 20.31 12.1 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -178.355 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.913 HD13 ' O ' ' S' ' 23' ' ' SER . 2.8 tm? -152.15 122.67 7.33 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.062 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.8 OUTLIER -79.92 -167.49 1.29 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.682 -1.261 . . . . 0.0 110.608 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.038 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.598 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.989 0.423 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.95 -42.71 94.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.758 -1.213 . . . . 0.0 110.218 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.1 -38.92 71.39 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.418 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.94 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.58 -48.36 77.73 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.596 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.564 HG12 ' HG2' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -59.71 -45.63 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 109.822 179.255 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.564 ' HG2' HG12 ' S' ' 32' ' ' VAL . 5.8 mm100 -66.95 -36.76 82.94 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 110.617 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.955 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.02 -43.78 78.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 111.139 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.951 ' CD1' HD23 ' S' ' 13' ' ' LEU . 27.3 mt -68.82 -46.79 67.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.464 -1.397 . . . . 0.0 109.727 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.529 ' HA ' ' OD2' ' S' ' 39' ' ' ASP . 34.6 mt -68.06 -39.49 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.15 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -71.53 -38.57 71.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.89 -1.131 . . . . 0.0 109.766 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.493 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 6.2 t0 -71.45 -43.63 66.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.586 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.05 -1.031 . . . . 0.0 110.129 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.947 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.117 0.484 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 1.036 ' CE1' HD13 ' S' ' 16' ' ' LEU . 8.5 m-85 -50.05 -26.27 4.21 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.516 -0.74 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.514 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -18.23 -46.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.03 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -151.55 40.58 0.68 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.431 -1.418 . . . . 0.0 113.325 -179.283 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.947 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -84.24 155.75 22.32 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 117.266 -1.773 . . . . 0.0 108.203 177.727 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 16.4 p -75.45 162.38 28.4 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.685 ' HA ' HD12 ' S' ' 13' ' ' LEU . 34.4 m -50.34 -27.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.723 -1.236 . . . . 0.0 109.586 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.458 HG12 ' OE1' ' S' ' 12' ' ' GLN . 17.2 t -66.31 -46.59 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 110.437 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -73.03 -43.99 61.37 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.581 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' S' ' 10' ' ' VAL . 12.0 mt -56.2 -43.15 78.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.506 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 8.6 tttt -69.32 -32.66 71.92 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.441 -0.787 . . . . 0.0 109.518 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -66.79 -50.19 63.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.028 -1.045 . . . . 0.0 109.94 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 1.036 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -61.58 -44.52 96.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.885 -1.134 . . . . 0.0 109.81 179.435 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.058 ' CD1' HG13 ' S' ' 24' ' ' VAL . 8.6 mt -68.9 -33.93 74.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.887 -1.133 . . . . 0.0 110.438 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -59.76 -43.65 94.2 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -15.44 57.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.689 -0.632 . . . . 0.0 110.158 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 1.8 ttt-85 -87.3 -0.01 56.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.14 -0.975 . . . . 0.0 110.664 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.9 t30 69.35 20.73 7.25 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.713 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -147.63 96.22 2.64 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.027 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -54.37 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.699 -1.251 . . . . 0.0 110.756 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.058 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.452 -0.78 . . . . 0.0 110.93 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' S' ' 10' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 120.823 0.344 . . . . 0.0 111.333 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.06 -42.86 96.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.737 -1.227 . . . . 0.0 109.789 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.27 -37.2 69.49 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.339 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.862 HD13 HG11 ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.98 -48.11 77.74 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.09 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.822 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.28 -44.13 83.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.448 -0.782 . . . . 0.0 109.341 178.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 46.5 mt-30 -67.18 -44.08 80.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.448 -0.783 . . . . 0.0 111.066 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.893 ' HG2' HD11 ' S' ' 17' ' ' LEU . 4.0 ttm-85 -61.9 -44.59 96.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.931 -1.106 . . . . 0.0 111.289 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.734 HD22 HD12 ' S' ' 16' ' ' LEU . 15.4 mt -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.975 -1.078 . . . . 0.0 111.036 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.822 HD12 ' O ' ' S' ' 32' ' ' VAL . 22.9 mt -70.07 -37.11 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.421 -0.799 . . . . 0.0 110.174 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 8.2 mmmt -70.9 -40.48 72.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.023 -1.048 . . . . 0.0 108.882 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 0.8 OUTLIER -71.69 -37.39 70.71 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.511 -0.743 . . . . 0.0 109.983 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.448 -0.782 . . . . 0.0 110.258 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 1.023 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.214 0.53 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.785 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.7 m-85 -49.52 -29.89 7.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.599 -0.688 . . . . 0.0 111.13 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.575 ' C ' ' O ' ' S' ' 5' ' ' TYR . 3.3 p -0.83 -66.89 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.181 0.515 . . . . 0.0 112.072 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.583 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER -152.47 54.78 0.8 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 110.971 179.49 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 1.023 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -72.02 177.86 4.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.733 -1.229 . . . . 0.0 109.217 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.818 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.5 t -82.03 142.89 31.96 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.5 -34.15 5.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.781 -1.199 . . . . 0.0 110.984 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.616 HG12 ' OG1' ' S' ' 9' ' ' THR . 12.4 p -66.89 -45.98 86.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.748 -1.22 . . . . 0.0 110.378 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.767 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.5 -35.02 65.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.686 -1.259 . . . . 0.0 110.013 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 1.059 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.98 -40.31 84.44 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 177.614 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.726 ' O ' HG23 ' S' ' 18' ' ' THR . 2.2 tttt -69.78 -31.35 69.23 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 15' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' S' ' 18' ' ' THR . 46.9 t0 -64.49 -49.44 71.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 110.249 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.16 -44.41 84.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.777 -1.202 . . . . 0.0 109.988 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.076 HD13 HD13 ' S' ' 22' ' ' LEU . 0.1 OUTLIER -66.44 -37.83 86.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.658 -1.276 . . . . 0.0 109.907 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 18' ' ' THR . . . . . 0.726 HG23 ' O ' ' S' ' 14' ' ' LYS . 11.6 p -61.37 -42.53 98.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 108.391 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -78.51 -14.59 59.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.592 -0.692 . . . . 0.0 109.956 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 25.6 ttt85 -87.89 8.55 25.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 52.4 t30 66.0 21.84 11.26 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 1.076 HD13 HD13 ' S' ' 17' ' ' LEU . 2.4 tm? -153.79 114.43 4.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 23' ' ' SER . . . . . 0.648 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.4 OUTLIER -81.34 171.66 14.52 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.259 -0.901 . . . . 0.0 111.743 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 0.796 ' CB ' HD13 ' S' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.391 -0.818 . . . . 0.0 111.619 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.633 ' HZ1' HD13 ' S' ' 13' ' ' LEU . 3.0 tptp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -63.75 -41.08 98.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.685 -1.259 . . . . 0.0 109.812 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.41 -38.03 70.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.696 -1.253 . . . . 0.0 108.247 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.896 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.3 OUTLIER -65.71 -47.71 74.45 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.796 0.808 . . . . 0.0 109.727 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 0.47 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.216 179.764 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 44.7 mt-30 -67.64 -39.37 84.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.302 -0.874 . . . . 0.0 110.622 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.763 ' CG ' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -65.34 -45.34 84.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.939 -1.1 . . . . 0.0 110.605 -179.289 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 1.059 ' CD1' HD23 ' S' ' 13' ' ' LEU . 43.6 mt -69.46 -46.99 65.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.911 -1.516 . . . . 0.0 110.437 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.464 HG13 ' O ' ' S' ' 32' ' ' VAL . 48.7 mt -69.5 -42.93 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 110.796 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 1.6 mtpm? -70.07 -41.45 74.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.912 -1.118 . . . . 0.0 109.613 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 34.7 t70 -71.94 -41.92 67.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.488 -0.758 . . . . 0.0 110.295 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.534 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 15.1 t0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.306 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 4' ' ' ASP . . . . . 0.969 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.296 0.57 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 5' ' ' TYR . . . . . 0.883 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.6 m-85 -49.97 -28.4 6.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.763 -0.585 . . . . 0.0 111.837 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 6' ' ' SER . . . . . 0.567 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.83 -61.49 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 95.3 p -153.51 55.73 0.75 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.97 -1.082 . . . . 0.0 111.352 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 8' ' ' LEU . . . . . 0.969 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.19 177.28 5.89 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.593 -1.317 . . . . 0.0 109.237 179.068 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 9' ' ' THR . . . . . 0.777 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.7 t -82.49 146.35 29.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.992 -1.068 . . . . 0.0 108.335 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 10' ' ' VAL . . . . . 0.421 HG13 ' N ' ' S' ' 11' ' ' VAL . 4.3 p -48.93 -37.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 120.786 -1.197 . . . . 0.0 111.119 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 11' ' ' VAL . . . . . 0.589 HG13 ' N ' ' S' ' 12' ' ' GLN . 10.7 p -65.52 -46.2 90.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.818 -1.176 . . . . 0.0 110.645 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 12' ' ' GLN . . . . . 0.777 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.06 -35.04 66.62 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.717 -1.24 . . . . 0.0 110.09 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 13' ' ' LEU . . . . . 0.922 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.64 -39.5 80.72 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.483 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 14' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.7 tttt -69.96 -30.77 68.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.8 -49.71 69.6 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.203 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 16' ' ' LEU . . . . . 0.883 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -65.49 -45.24 84.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.767 -1.208 . . . . 0.0 109.914 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 17' ' ' LEU . . . . . 1.068 HD13 ' O ' ' S' ' 23' ' ' SER . 7.4 mt -67.54 -34.66 77.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.109 . . . . 0.0 110.076 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 13.7 m -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -13.82 59.65 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 120.204 -0.599 . . . . 0.0 109.424 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 20' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 12.1 ttt-85 -87.4 7.76 27.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.392 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 21' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t30 64.7 18.66 11.53 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 22' ' ' LEU . . . . . 0.92 HD13 ' O ' ' S' ' 23' ' ' SER . 2.8 tm? -150.18 120.14 7.16 Favored 'General case' 0 C--O 1.201 -1.469 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 23' ' ' SER . . . . . 1.068 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -77.78 -166.98 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.733 -1.229 . . . . 0.0 110.567 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 24' ' ' VAL . . . . . 1.05 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 110.413 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.551 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 5.8 tptp . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 29' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.4 m-20 -61.33 -36.71 80.9 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.251 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.36 -41.23 88.77 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.224 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 31' ' ' LEU . . . . . 0.922 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.07 -48.43 78.69 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.414 -0.804 . . . . 0.0 109.156 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 32' ' ' VAL . . . . . 1.045 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.23 -45.84 95.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 109.716 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.3 mt-30 -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 110.316 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 34' ' ' ARG . . . . . 0.945 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.88 -43.91 74.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.936 -1.103 . . . . 0.0 111.107 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 35' ' ' LEU . . . . . 0.922 ' CD1' HD23 ' S' ' 13' ' ' LEU . 25.4 mt -69.38 -47.61 63.74 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.374 -1.454 . . . . 0.0 109.76 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 1.045 HD12 ' O ' ' S' ' 32' ' ' VAL . 5.1 mt -68.13 -42.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 110.281 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tptp -71.05 -46.53 61.81 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.031 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t70 -69.09 -35.73 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.177 -0.952 . . . . 0.0 110.381 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 39' ' ' ASP . . . . . 0.531 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 13.9 t70 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.241 -0.912 . . . . 0.0 110.41 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 2' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' S' ' 3' ' ' ALA . 1.1 p -151.48 -52.25 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.22 -1.165 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 3' ' ' ALA . . . . . 0.439 ' N ' ' OG ' ' S' ' 2' ' ' SER . . . 49.26 -178.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.925 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.952 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.5 OUTLIER -121.11 -95.69 0.48 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.276 -0.89 . . . . 0.0 110.518 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.663 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 6.0 m-85 -50.43 -30.45 12.54 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.791 -0.568 . . . . 0.0 111.471 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.652 ' O ' HG22 ' S' ' 32' ' ' VAL . 1.0 OUTLIER -3.11 -64.38 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 9.6 m -153.19 48.15 0.7 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.019 -1.051 . . . . 0.0 111.415 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.952 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -63.51 170.75 2.94 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 118.071 -1.452 . . . . 0.0 108.187 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.855 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.29 153.29 38.01 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.24 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.486 ' H ' HG12 ' S' ' 10' ' ' VAL . 0.4 OUTLIER -48.57 -27.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.663 -1.273 . . . . 0.0 109.334 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.482 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 3.5 t -66.95 -43.94 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 110.167 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.594 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.27 -44.71 62.41 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.853 -1.154 . . . . 0.0 109.676 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.941 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.4 mp -55.99 -43.77 77.96 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.381 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' S' ' 18' ' ' THR . 4.6 tttt -68.78 -31.29 70.2 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.486 -0.759 . . . . 0.0 109.586 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 2.0 t70 -69.73 -49.92 48.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.937 ' CD1' HD22 ' S' ' 35' ' ' LEU . 0.2 OUTLIER -66.51 -44.17 83.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.775 -1.203 . . . . 0.0 110.248 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.049 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -64.0 -37.99 89.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.987 -1.07 . . . . 0.0 109.556 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 18' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 14.0 m -61.54 -44.38 97.15 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.219 -0.926 . . . . 0.0 108.782 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -13.58 59.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.455 -0.778 . . . . 0.0 110.069 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.8 mtt-85 -88.24 8.69 26.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.92 . . . . 0.0 110.239 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.0 OUTLIER 64.25 18.02 11.05 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.162 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 1.049 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -147.14 112.01 5.38 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.67 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -82.64 175.0 10.5 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.302 -0.874 . . . . 0.0 112.046 -178.387 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 0.763 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.0 OUTLIER -110.92 112.0 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.657 -0.652 . . . . 0.0 110.123 179.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.52 116.48 5.22 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' S' ' 30' ' ' GLU . . . 140.75 175.86 14.91 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 121.137 -1.214 . . . . 0.0 110.283 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.591 HD12 ' OD1' ' S' ' 29' ' ' ASN . 0.4 OUTLIER -66.0 179.83 0.85 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.431 -1.041 . . . . 0.0 110.623 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.513 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -51.72 -46.97 64.16 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 110.368 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 29' ' ' ASN . . . . . 0.591 ' OD1' HD12 ' S' ' 27' ' ' LEU . 3.4 m120 -64.32 -40.28 95.59 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.686 -1.259 . . . . 0.0 108.935 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.554 ' HG3' ' CD2' ' S' ' 27' ' ' LEU . 16.9 mm-40 -58.88 -39.75 82.37 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.919 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -60.77 -47.79 84.74 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 1.05 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.8 OUTLIER -59.18 -44.68 92.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.655 0.74 . . . . 0.0 109.407 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 25.0 mt-30 -66.91 -36.52 82.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.467 -0.771 . . . . 0.0 110.391 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.869 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -65.42 -43.95 88.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.094 . . . . 0.0 109.936 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.941 ' CD1' HD23 ' S' ' 13' ' ' LEU . 42.8 mt -68.76 -48.52 63.51 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.575 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 1.05 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.97 -45.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.494 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -62.41 -43.9 97.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 109.244 179.265 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 21.8 t70 -71.48 -35.64 70.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.711 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.499 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.8 t70 -72.63 -44.2 62.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.498 -0.751 . . . . 0.0 110.461 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -62.39 -43.42 98.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.056 -1.027 . . . . 0.0 110.224 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.08 -60.92 2.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 110.242 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 102.03 0.71 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.893 . . . . 0.0 110.283 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -178.74 105.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.258 -0.901 . . . . 0.0 110.239 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -116.21 -34.82 4.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.332 -1.099 . . . . 0.0 110.166 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.3 98.07 3.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.286 -0.884 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 1.025 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -128.84 -95.46 0.41 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.656 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.756 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.9 m-85 -49.65 -32.07 12.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.628 -0.67 . . . . 0.0 111.468 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 13.9 t 1.99 -70.08 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 CA-C-O 121.23 0.538 . . . . 0.0 112.117 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.574 ' N ' ' O ' ' S' ' 5' ' ' TYR . 10.4 t -151.92 56.84 0.85 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.213 -0.929 . . . . 0.0 110.68 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 1.025 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -72.0 175.19 6.11 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.73 -1.231 . . . . 0.0 109.371 179.377 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.635 ' O ' HD12 ' S' ' 13' ' ' LEU . 2.3 m -77.04 142.48 39.85 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.939 HG22 ' HD2' ' S' ' 28' ' ' LYS . 16.0 t -49.01 -36.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.758 -1.214 . . . . 0.0 110.365 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.603 ' H ' HG22 ' S' ' 9' ' ' THR . 0.3 OUTLIER -64.84 -45.9 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.095 . . . . 0.0 110.117 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.92 -34.91 66.89 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.804 -1.185 . . . . 0.0 110.152 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.922 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.34 -39.61 79.94 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.44 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 5.0 mtpt -70.46 -30.8 67.72 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.47 -49.8 70.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.874 HD12 HD22 ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.76 -44.73 80.66 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.795 -1.191 . . . . 0.0 109.818 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.117 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -64.1 -37.4 87.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.902 -1.124 . . . . 0.0 109.332 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -61.37 -43.72 98.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.199 -0.938 . . . . 0.0 108.849 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -78.0 -14.16 59.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.563 -0.711 . . . . 0.0 109.84 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 5.1 mtt-85 -87.9 7.87 28.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.321 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.8 OUTLIER 64.93 19.23 11.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 1.117 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -148.94 113.39 5.29 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.709 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.88 174.89 10.0 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.238 -0.914 . . . . 0.0 112.231 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 0.78 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -112.15 99.12 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.791 -0.568 . . . . 0.0 110.019 179.655 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.37 128.61 9.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.528 ' HA3' ' CB ' ' S' ' 30' ' ' GLU . . . 135.16 -170.88 22.73 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.796 HD23 ' N ' ' S' ' 27' ' ' LEU . 0.8 OUTLIER -78.71 179.45 7.16 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.395 -1.062 . . . . 0.0 109.867 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.939 ' HD2' HG22 ' S' ' 10' ' ' VAL . 0.0 OUTLIER -51.7 -43.55 62.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.086 -1.009 . . . . 0.0 109.494 179.523 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -63.56 -41.5 98.42 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.72 -1.238 . . . . 0.0 108.637 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.533 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 70.1 mm-40 -56.67 -36.78 69.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.902 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.93 -47.67 79.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.46 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -59.83 -45.26 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-O 121.63 0.728 . . . . 0.0 109.845 178.824 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 69.4 mt-30 -67.05 -35.7 80.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.836 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -68.71 -45.21 72.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.895 -1.128 . . . . 0.0 110.749 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.922 ' CD1' HD23 ' S' ' 13' ' ' LEU . 20.7 mt -69.44 -47.22 64.75 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 117.841 -1.544 . . . . 0.0 109.799 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 61.1 mt -70.5 -45.16 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.625 -0.672 . . . . 0.0 111.113 -178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -69.1 -40.63 78.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.915 -1.115 . . . . 0.0 109.72 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 36.0 t70 -71.58 -42.93 67.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 110.119 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.3 t70 -71.37 -31.46 67.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -56.22 -34.12 66.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.925 . . . . 0.0 110.336 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' S' ' 40' ' ' GLU . 34.3 tt0 42.69 73.97 0.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.938 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -71.05 63.42 0.32 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.918 . . . . 0.0 110.361 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.97 151.39 30.24 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 110.199 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 1' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' S' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 2' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' S' ' 1' ' ' GLY . 0.4 OUTLIER 64.95 179.71 0.18 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.218 -1.166 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.71 122.45 16.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.941 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.6 OUTLIER -128.35 -95.38 0.42 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.654 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.3 m-85 -50.03 -29.87 9.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.8 -0.562 . . . . 0.0 111.137 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 9.9 t -6.55 -60.58 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.59 ' N ' ' O ' ' S' ' 5' ' ' TYR . 19.3 m -152.96 49.67 0.73 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.062 -1.055 . . . . 0.0 111.735 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.981 HD12 HD21 ' S' ' 16' ' ' LEU . 0.1 OUTLIER -69.71 169.05 13.64 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 117.894 -1.523 . . . . 0.0 108.424 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.909 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.31 156.61 35.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.563 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.62 -28.13 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.629 -1.294 . . . . 0.0 109.602 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.475 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.1 t -67.11 -43.98 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 110.334 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.4 OUTLIER -72.21 -45.04 61.95 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.865 -1.147 . . . . 0.0 109.62 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.929 HD22 ' HB3' ' S' ' 31' ' ' LEU . 1.5 mp -56.02 -43.79 78.09 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.853 -1.139 . . . . 0.0 108.372 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.2 tttt -69.31 -31.36 69.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.453 -0.779 . . . . 0.0 109.897 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 0.3 OUTLIER -70.07 -50.38 41.55 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.988 . . . . 0.0 110.607 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.981 HD21 HD12 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -65.58 -43.94 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.831 -1.168 . . . . 0.0 110.131 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.039 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.05 -39.01 93.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.931 -1.106 . . . . 0.0 109.626 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.7 m -60.94 -43.98 97.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.081 -1.012 . . . . 0.0 108.831 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.05 -13.98 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.192 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.9 mtt-85 -88.46 9.39 23.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.17 -0.956 . . . . 0.0 110.266 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.4 OUTLIER 64.03 18.55 11.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -178.2 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 1.039 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -147.7 112.74 5.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.694 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.11 174.93 10.38 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.384 -0.823 . . . . 0.0 112.125 -178.416 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 0.782 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -111.23 106.93 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.661 -0.649 . . . . 0.0 110.12 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.99 115.95 5.33 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.487 ' HA3' ' HB3' ' S' ' 30' ' ' GLU . . . 143.96 176.99 18.48 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.575 HD23 ' H ' ' S' ' 27' ' ' LEU . 0.4 OUTLIER -66.7 179.14 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.465 -1.021 . . . . 0.0 110.683 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.566 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 3.9 tptp -52.06 -47.66 65.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 110.88 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.53 -37.19 86.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.524 -1.36 . . . . 0.0 108.659 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.537 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 27.6 mm-40 -59.87 -38.23 81.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.929 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -61.39 -48.21 82.26 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.228 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 1.052 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.77 -44.61 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 121.554 0.692 . . . . 0.0 109.843 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 77.8 mt-30 -66.08 -35.9 81.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.347 -0.846 . . . . 0.0 110.272 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.861 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -66.43 -43.8 84.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.045 -1.034 . . . . 0.0 110.047 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.941 HD22 ' CD1' ' S' ' 16' ' ' LEU . 38.8 mt -68.55 -48.29 64.67 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 118.308 -1.357 . . . . 0.0 110.38 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 1.052 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.63 -44.52 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.476 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -66.19 -45.05 82.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.012 -1.055 . . . . 0.0 109.587 179.475 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 30.8 t0 -71.67 -38.65 70.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.541 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 6.2 t70 -64.88 -27.81 69.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.0 110.131 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' S' ' 41' ' ' GLU . 3.8 tp10 -73.49 -30.15 62.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -0.93 . . . . 0.0 110.193 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER 65.31 96.68 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.917 . . . . 0.0 110.094 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.46 -21.12 5.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 110.548 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -105.13 -20.49 13.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.11 -0.993 . . . . 0.0 110.257 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 2' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' S' ' 3' ' ' ALA . 3.1 t -156.29 122.8 5.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -1.11 . . . . 0.0 110.265 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 3' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' S' ' 2' ' ' SER . . . 57.39 95.17 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.289 -0.882 . . . . 0.0 110.237 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 1.049 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER -124.6 -94.87 0.47 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.212 -0.93 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.84 ' CE1' HD13 ' S' ' 16' ' ' LEU . 13.6 m-85 -49.96 -34.15 19.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 111.284 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.574 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER 4.12 -70.92 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 CA-C-O 121.201 0.524 . . . . 0.0 112.1 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.593 ' N ' ' O ' ' S' ' 5' ' ' TYR . 2.4 t -151.9 55.9 0.84 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.151 -0.968 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 1.049 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.04 177.08 5.93 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.723 -1.236 . . . . 0.0 109.454 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.908 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.4 t -77.77 140.46 39.46 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.592 HG22 ' HD2' ' S' ' 28' ' ' LYS . 9.7 t -48.79 -34.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.687 -1.258 . . . . 0.0 110.739 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.557 HG13 ' N ' ' S' ' 12' ' ' GLN . 4.3 p -64.82 -45.72 94.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 120.937 -1.102 . . . . 0.0 110.416 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.87 ' OE1' HD13 ' S' ' 8' ' ' LEU . 0.0 OUTLIER -73.25 -36.77 66.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.631 -1.293 . . . . 0.0 110.395 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 1.171 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.6 OUTLIER -58.07 -39.65 79.02 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.701 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -68.59 -30.49 69.26 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 26.3 t0 -68.18 -49.62 59.7 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.84 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -62.18 -44.03 97.51 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.598 -1.314 . . . . 0.0 109.488 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.065 ' CD1' HG13 ' S' ' 24' ' ' VAL . 8.0 mt -70.11 -33.65 72.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.746 -1.221 . . . . 0.0 110.157 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -59.09 -41.88 89.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -16.56 57.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.703 -0.623 . . . . 0.0 109.358 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.515 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 6.1 ttt180 -86.95 -0.22 56.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.7 OUTLIER 67.82 22.13 8.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.028 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.781 ' O ' HD22 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -149.37 94.29 2.19 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.3 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.062 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -53.0 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.613 -1.304 . . . . 0.0 110.856 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.065 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -111.64 155.79 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 110.819 -179.295 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -37.94 -97.05 0.01 OUTLIER Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.401 ' H ' ' CB ' ' S' ' 30' ' ' GLU . . . -156.68 -85.31 0.05 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.23 166.38 4.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.126 -1.22 . . . . 0.0 110.658 -179.287 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.592 ' HD2' HG22 ' S' ' 10' ' ' VAL . 0.0 OUTLIER -51.71 -46.99 64.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.325 -0.859 . . . . 0.0 111.103 -179.142 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 29' ' ' ASN . . . . . 0.445 ' HB2' HD12 ' S' ' 27' ' ' LEU . 5.5 m120 -62.95 -43.65 98.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.658 -1.276 . . . . 0.0 109.882 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.563 ' HG2' HD11 ' S' ' 27' ' ' LEU . 11.2 mm-40 -56.31 -38.99 72.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.503 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.89 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.56 -46.84 88.2 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.186 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.5 OUTLIER -59.17 -44.25 91.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.622 -0.673 . . . . 0.0 109.331 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.9 OUTLIER -67.86 -37.26 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.481 -0.762 . . . . 0.0 111.153 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.901 ' HG2' HD11 ' S' ' 17' ' ' LEU . 6.9 ttm180 -69.93 -44.65 69.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.847 -1.158 . . . . 0.0 110.867 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 1.171 ' CD1' HD23 ' S' ' 13' ' ' LEU . 11.8 mt -71.52 -46.69 58.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.025 -1.047 . . . . 0.0 110.582 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.502 HD12 HG13 ' S' ' 32' ' ' VAL . 55.4 mt -68.63 -41.27 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.775 . . . . 0.0 110.059 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 47.7 tttm -70.79 -39.2 73.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.212 -0.93 . . . . 0.0 109.684 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 2.6 m-20 -71.64 -47.29 55.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.5 OUTLIER -66.86 -27.51 67.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -73.26 -34.89 66.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.04 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -89.5 -9.89 48.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -98.57 78.2 2.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 0.0 110.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.37 -69.99 0.14 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.273 -0.892 . . . . 0.0 110.151 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 1' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' S' ' 3' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 2' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' S' ' 3' ' ' ALA . 19.4 m 52.76 -88.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -1.158 . . . . 0.0 110.076 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 3' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' S' ' 2' ' ' SER . . . 59.74 13.23 3.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.443 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 1.086 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.8 OUTLIER -124.28 -95.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.129 -0.982 . . . . 0.0 110.502 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.811 ' CE1' HD13 ' S' ' 16' ' ' LEU . 13.5 m-85 -51.05 -35.87 36.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.617 -0.677 . . . . 0.0 111.659 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.581 ' C ' ' O ' ' S' ' 5' ' ' TYR . 8.2 m 8.07 -74.97 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.231 0.538 . . . . 0.0 111.836 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.585 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -152.32 55.49 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.259 -0.901 . . . . 0.0 110.713 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 1.086 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.3 OUTLIER -70.51 179.38 2.55 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.472 179.462 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.782 HG22 ' H ' ' S' ' 11' ' ' VAL . 2.2 m -77.48 136.61 38.36 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.27 -28.21 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.723 -1.235 . . . . 0.0 109.901 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.782 ' H ' HG22 ' S' ' 9' ' ' THR . 0.4 OUTLIER -70.1 -46.02 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 109.63 178.796 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.665 ' OE1' HD23 ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.68 -35.57 67.7 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.813 -1.179 . . . . 0.0 109.588 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 1.118 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.56 -43.69 89.45 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.69 -30.37 70.6 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 177.454 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 6.8 t0 -68.38 -49.98 56.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.492 -0.755 . . . . 0.0 110.596 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -60.64 -43.45 97.55 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.527 -1.358 . . . . 0.0 109.216 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 0.998 HD12 HG12 ' S' ' 24' ' ' VAL . 10.4 mt -70.99 -33.08 70.06 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.863 -1.148 . . . . 0.0 110.375 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.0 -18.84 52.96 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' S' ' 21' ' ' ASN . 9.5 ttt180 -87.08 -6.24 58.76 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.375 -0.828 . . . . 0.0 110.27 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 2.6 t30 69.83 21.67 6.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.944 HD13 ' O ' ' S' ' 22' ' ' LEU . 2.0 tm? -143.41 71.06 1.32 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.55 0.691 . . . . 0.0 109.352 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.538 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.9 OUTLIER -39.2 151.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.22 -0.925 . . . . 0.0 111.818 -178.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 0.998 HG12 HD12 ' S' ' 17' ' ' LEU . 34.5 m -70.43 158.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.289 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.519 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -57.53 -127.75 0.01 OUTLIER Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -124.31 -65.87 0.2 Allowed Glycine 0 N--CA 1.492 2.431 0 O-C-N 120.736 -1.45 . . . . 0.0 110.273 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.596 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 1.7 mm? -61.87 156.92 19.51 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.138 -1.213 . . . . 0.0 110.952 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.588 ' HE3' HD13 ' S' ' 13' ' ' LEU . 1.1 tptm -57.58 -39.03 75.87 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.71 -30.86 70.47 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' S' ' 27' ' ' LEU . 5.3 mm-40 -65.66 -34.34 77.99 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.936 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -66.49 -48.29 70.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.034 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.813 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -62.24 -44.97 99.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-O 121.526 0.679 . . . . 0.0 109.824 179.315 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 40.2 mt-30 -68.0 -41.27 82.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.469 -0.77 . . . . 0.0 110.95 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.808 ' HG2' HD11 ' S' ' 17' ' ' LEU . 2.3 ttm180 -64.59 -45.79 85.45 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.95 -1.094 . . . . 0.0 110.947 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 1.118 ' CD1' HD23 ' S' ' 13' ' ' LEU . 10.4 mt -72.33 -47.62 48.32 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.471 -1.291 . . . . 0.0 111.091 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.813 HD12 ' O ' ' S' ' 32' ' ' VAL . 20.9 mt -70.26 -42.54 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 0.0 110.662 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.6 OUTLIER -70.46 -42.01 72.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.963 -1.086 . . . . 0.0 109.697 179.23 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 27.2 t0 -71.75 -40.73 69.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.514 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 26.6 t0 -73.42 -40.94 63.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.251 -0.906 . . . . 0.0 110.417 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.7 OUTLIER -55.49 -33.94 64.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.954 . . . . 0.0 110.155 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.31 -171.91 1.99 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.199 -0.938 . . . . 0.0 110.158 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.16 45.51 2.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.43 111.09 21.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.205 -0.934 . . . . 0.0 110.238 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' S' S ' 2' ' ' SER . . . . . 0.666 ' O ' ' HB2' ' S' ' 3' ' ' ALA . 0.8 OUTLIER -167.96 -58.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 0.0 110.103 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 3' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' S' ' 2' ' ' SER . . . 172.46 159.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.954 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.988 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER -118.02 -94.97 0.49 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.36 -0.838 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.859 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.3 m-85 -49.88 -29.48 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.807 -0.558 . . . . 0.0 111.383 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.575 ' OG ' ' HB1' ' S' ' 3' ' ' ALA . 0.4 OUTLIER -5.17 -62.23 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -152.64 50.72 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.003 -1.06 . . . . 0.0 111.66 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.988 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -72.06 166.9 21.32 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 118.034 -1.466 . . . . 0.0 108.346 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.528 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -75.31 153.95 37.61 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.77 -27.61 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 120.873 -1.142 . . . . 0.0 109.397 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 t -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.488 -0.758 . . . . 0.0 110.285 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.612 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.49 -45.57 58.85 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 118.709 -1.196 . . . . 0.0 109.66 -179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' S' ' 31' ' ' LEU . 1.6 mp -56.54 -43.85 80.28 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.468 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.506 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 10.4 tttt -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.406 -0.809 . . . . 0.0 109.24 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -50.34 45.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 110.768 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -61.74 -45.41 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.665 -1.272 . . . . 0.0 109.912 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.049 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.5 mt -68.47 -33.8 74.81 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.212 -0.93 . . . . 0.0 110.206 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -59.45 -43.97 93.07 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -14.69 58.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.662 -0.649 . . . . 0.0 109.876 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.547 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.2 ttt180 -87.38 -0.71 57.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.212 -0.93 . . . . 0.0 110.363 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 13.2 t-20 66.81 22.67 10.21 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.725 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.2 tm? -148.89 86.56 1.51 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.02 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -50.07 -172.43 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.018 -1.051 . . . . 0.0 111.075 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.049 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.28 158.57 10.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.597 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -44.73 -108.27 0.01 OUTLIER Glycine 0 N--CA 1.498 2.787 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.03 -82.79 0.06 OUTLIER Glycine 0 N--CA 1.492 2.389 0 O-C-N 121.103 -1.234 . . . . 0.0 110.242 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.541 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.41 164.41 7.34 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.052 -1.263 . . . . 0.0 110.507 -179.146 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.501 ' HE2' ' O ' ' S' ' 8' ' ' LEU . 5.2 tptp -52.14 -47.24 65.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.444 -0.785 . . . . 0.0 111.096 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 29' ' ' ASN . . . . . 0.432 ' HB2' HD12 ' S' ' 27' ' ' LEU . 14.0 m120 -62.25 -41.71 98.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.633 -1.292 . . . . 0.0 109.826 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.541 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 5.6 mm-40 -56.28 -41.0 75.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.367 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.912 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.12 -48.81 79.91 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 121.306 -0.871 . . . . 0.0 108.701 178.527 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 1.035 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.65 -44.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.534 -0.728 . . . . 0.0 109.407 179.137 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.1 OUTLIER -67.1 -36.12 81.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.366 -0.834 . . . . 0.0 110.77 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.89 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.1 ttm180 -68.16 -43.97 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.771 -1.206 . . . . 0.0 110.948 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.759 ' CD1' HD23 ' S' ' 13' ' ' LEU . 16.6 mt -70.32 -47.81 59.41 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.282 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 1.035 HD12 ' O ' ' S' ' 32' ' ' VAL . 4.5 mt -70.55 -44.2 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.428 -0.795 . . . . 0.0 110.781 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.8 OUTLIER -68.41 -42.84 78.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.939 -1.1 . . . . 0.0 109.639 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 32.7 t70 -71.54 -35.64 70.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.78 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 6.7 t70 -71.36 -33.98 70.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.4 OUTLIER -65.03 -31.56 72.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.187 -0.946 . . . . 0.0 110.119 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.46 156.25 16.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 16.6 m 55.91 -177.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 110.218 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 164.0 0.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 110.161 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -46.72 -28.84 1.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -1.117 . . . . 0.0 110.284 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.17 111.61 20.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 1.02 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.1 OUTLIER -117.69 -95.48 0.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.159 -0.963 . . . . 0.0 110.23 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.741 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.4 m-85 -50.05 -32.71 16.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.689 -0.632 . . . . 0.0 111.428 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER 1.28 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-O 121.106 0.479 . . . . 0.0 112.172 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.581 ' N ' ' O ' ' S' ' 5' ' ' TYR . 26.8 t -151.36 53.91 0.85 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -0.981 . . . . 0.0 111.176 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 1.02 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.3 OUTLIER -69.64 175.98 3.84 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.709 -1.244 . . . . 0.0 108.889 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.712 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.2 t -77.33 139.24 39.72 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.552 HG23 ' HG ' ' S' ' 31' ' ' LEU . 3.9 p -48.3 -32.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 120.724 -1.235 . . . . 0.0 110.919 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 3.7 p -66.5 -45.94 87.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.768 -1.208 . . . . 0.0 110.054 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.712 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.23 -33.68 65.47 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.744 -1.223 . . . . 0.0 109.395 179.234 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.927 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.07 -39.51 78.7 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.297 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 13.8 mtpt -70.88 -31.46 68.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.86 -49.76 71.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.156 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.877 HD12 HD22 ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.37 -44.76 82.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.752 -1.218 . . . . 0.0 109.85 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.093 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.44 -37.94 89.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.841 -1.162 . . . . 0.0 109.31 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 21.3 m -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.041 -1.037 . . . . 0.0 108.69 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -78.16 -13.04 60.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.972 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 11.9 ttt-85 -88.2 8.04 29.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.947 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.6 OUTLIER 65.8 19.54 11.35 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -178.526 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 1.093 HD13 HD13 ' S' ' 17' ' ' LEU . 2.4 tm? -150.96 116.16 5.33 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.71 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -85.13 174.11 9.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.345 -0.847 . . . . 0.0 112.103 -178.536 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 0.8 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -113.25 102.03 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.699 -0.626 . . . . 0.0 110.107 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.38 119.58 6.57 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.528 ' HA3' ' CB ' ' S' ' 30' ' ' GLU . . . 145.55 -171.18 26.66 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.8 HD23 ' N ' ' S' ' 27' ' ' LEU . 0.7 OUTLIER -77.7 179.69 6.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.327 -1.102 . . . . 0.0 109.734 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -51.56 -41.37 61.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 109.621 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -67.44 -43.75 80.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 109.215 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.558 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 1.8 mm-40 -56.22 -37.11 69.25 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.862 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.41 -47.6 81.3 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.469 ' O ' HG13 ' S' ' 36' ' ' ILE 0.258 1.0 OUTLIER -60.71 -45.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.683 0.754 . . . . 0.0 109.731 179.606 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 29.2 mt-30 -67.55 -35.5 79.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.845 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -66.57 -44.99 80.76 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.072 -1.017 . . . . 0.0 110.435 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.927 ' CD1' HD23 ' S' ' 13' ' ' LEU . 25.7 mt -69.64 -47.79 62.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 117.84 -1.544 . . . . 0.0 109.961 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.469 HG13 ' O ' ' S' ' 32' ' ' VAL . 24.5 mt -69.16 -44.61 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 110.88 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -68.46 -40.56 80.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.747 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t0 -71.81 -47.32 54.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 110.363 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.2 t70 -66.58 -27.44 67.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 110.233 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.66 -31.84 73.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.316 -0.865 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.91 150.64 25.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.227 -0.921 . . . . 0.0 110.303 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 42' ' ' SER . . . . . 0.429 ' O ' ' O ' ' S' ' 43' ' ' LYS . 21.9 t -146.61 168.81 20.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 0.0 110.163 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 43' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' S' ' 42' ' ' SER . 0.1 OUTLIER 61.33 137.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 0.0 110.181 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -133.42 132.64 41.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -1.119 . . . . 0.0 110.147 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.6 91.18 0.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.186 -0.947 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.903 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.1 OUTLIER -123.69 -95.13 0.48 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.338 -0.851 . . . . 0.0 110.253 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.771 ' CE1' HD13 ' S' ' 16' ' ' LEU . 7.3 m-85 -50.69 -26.46 5.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.736 -0.603 . . . . 0.0 111.407 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -11.22 -55.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.013 0.435 . . . . 0.0 112.142 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.589 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -154.43 48.8 0.6 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.876 -1.14 . . . . 0.0 111.814 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.903 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -70.86 166.14 21.74 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 117.864 -1.535 . . . . 0.0 108.319 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.842 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.3 156.59 35.43 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.717 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 1.1 p -49.74 -28.32 3.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.72 -1.238 . . . . 0.0 109.355 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.422 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.8 t -66.45 -44.49 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 110.319 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.3 -44.92 62.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.89 -1.131 . . . . 0.0 109.795 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.903 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.2 mp -55.93 -43.78 77.73 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.806 -1.158 . . . . 0.0 108.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.734 ' O ' HG23 ' S' ' 18' ' ' THR . 0.0 OUTLIER -68.35 -32.9 73.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -0.797 . . . . 0.0 109.969 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.471 ' O ' ' OG1' ' S' ' 18' ' ' THR . 0.2 OUTLIER -67.19 -50.57 60.48 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.914 -1.116 . . . . 0.0 110.571 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.833 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.4 -44.38 94.84 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.706 -1.246 . . . . 0.0 109.626 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.077 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.4 mt -68.89 -33.78 74.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 110.676 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 18' ' ' THR . . . . . 0.734 HG23 ' O ' ' S' ' 14' ' ' LYS . 4.5 p -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.832 -1.167 . . . . 0.0 108.399 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 19' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -78.78 -12.13 60.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 109.923 179.058 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.617 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 9.4 mtt-85 -87.08 4.1 43.48 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.236 -0.915 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 69.42 17.94 7.99 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.918 ' CD1' HD22 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -149.95 114.6 5.28 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.006 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -72.12 -167.66 0.33 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.181 -0.95 . . . . 0.0 110.769 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.077 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.25 157.52 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.721 0.772 . . . . 0.0 111.278 -179.557 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.54 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -42.27 -98.29 0.01 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.405 ' H ' ' CB ' ' S' ' 30' ' ' GLU . . . -152.03 -87.91 0.06 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.36 173.71 1.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.168 -1.195 . . . . 0.0 110.934 -179.011 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 1.6 mmmm -55.3 -47.16 75.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.454 -0.779 . . . . 0.0 111.251 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -65.75 -43.85 87.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.921 -1.112 . . . . 0.0 109.975 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.564 ' HG2' HD11 ' S' ' 27' ' ' LEU . 12.4 mm-40 -56.31 -36.91 69.21 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.794 -1.162 . . . . 0.0 108.147 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.896 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -67.0 -48.29 68.88 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.424 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 1.049 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.18 -45.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.627 0.727 . . . . 0.0 109.385 179.435 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 27.2 mt-30 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.48 -0.762 . . . . 0.0 110.439 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.941 ' HG2' HD11 ' S' ' 17' ' ' LEU . 2.6 ttm105 -67.18 -43.97 80.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.875 -1.141 . . . . 0.0 110.784 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.903 ' CD1' HD23 ' S' ' 13' ' ' LEU . 22.3 mt -68.95 -47.75 64.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.813 -1.179 . . . . 0.0 110.29 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 1.049 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.5 mt -69.63 -39.43 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.969 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.2 OUTLIER -70.57 -41.26 72.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.979 . . . . 0.0 109.385 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 4.3 m-20 -71.59 -38.19 70.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.479 -0.763 . . . . 0.0 110.007 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 4.0 t70 -73.56 -46.06 49.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 4.0 mm-40 -68.66 -48.97 62.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -96.82 165.38 12.14 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.266 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.75 77.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.33 -0.857 . . . . 0.0 110.237 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 43' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' S' ' 44' ' ' GLY . 6.3 mmtt -85.87 -13.95 46.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.217 -0.927 . . . . 0.0 110.15 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 44' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' S' ' 43' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.63 70.73 4.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -1.139 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.32 41.57 2.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.117 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 1.005 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.8 OUTLIER -120.79 -95.12 0.49 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 0.0 110.555 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.731 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.9 m-85 -49.12 -29.09 4.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.635 -0.666 . . . . 0.0 111.52 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 43.1 m -3.81 -64.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.063 0.458 . . . . 0.0 112.102 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 45.5 m -153.17 56.17 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.111 -0.993 . . . . 0.0 111.011 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 1.005 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.47 173.38 10.41 Favored 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.409 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.677 ' O ' HD12 ' S' ' 13' ' ' LEU . 2.4 m -76.83 142.95 40.06 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.41 HG13 ' N ' ' S' ' 11' ' ' VAL . 3.8 p -49.0 -37.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 120.724 -1.235 . . . . 0.0 110.523 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.603 ' H ' HG22 ' S' ' 9' ' ' THR . 0.3 OUTLIER -65.1 -45.43 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.939 -1.1 . . . . 0.0 110.112 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.5 -35.23 68.08 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.83 -1.169 . . . . 0.0 110.063 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.923 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.7 -39.36 80.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -69.68 -30.66 68.38 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 6.6 t0 -65.79 -50.18 65.61 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.783 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.52 -45.17 91.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.771 -1.206 . . . . 0.0 109.622 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.059 HD13 ' O ' ' S' ' 23' ' ' SER . 7.0 mt -68.09 -33.76 75.12 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.933 -1.104 . . . . 0.0 110.153 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -59.43 -43.36 93.12 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -14.29 59.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.689 -0.632 . . . . 0.0 109.379 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 8.6 ttt-85 -87.39 0.38 55.56 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.413 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.83 23.3 11.41 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.526 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.782 HD13 ' O ' ' S' ' 23' ' ' SER . 3.3 tm? -150.83 91.18 1.69 Allowed 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.059 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -52.53 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.557 -1.34 . . . . 0.0 110.855 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.04 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -109.81 161.17 8.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 110.753 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.513 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -42.08 -101.44 0.01 OUTLIER Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.444 ' C ' HD23 ' S' ' 27' ' ' LEU . . . -159.25 -53.26 0.01 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.809 HD23 ' N ' ' S' ' 27' ' ' LEU . 0.1 OUTLIER -85.12 166.76 16.36 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.96 -1.318 . . . . 0.0 109.847 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.567 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.4 OUTLIER -52.4 -45.87 66.04 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 109.49 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -67.29 -43.63 81.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.989 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.538 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 44.4 mm-40 -55.38 -33.81 63.77 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.068 -1.02 . . . . 0.0 108.528 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.894 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -70.2 -48.55 56.64 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.815 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.57 -45.33 86.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 179.014 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 82.7 mt-30 -67.45 -36.0 80.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.474 -0.766 . . . . 0.0 110.748 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.923 ' HG2' HD11 ' S' ' 17' ' ' LEU . 12.2 ttm180 -68.92 -43.89 74.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.821 -1.175 . . . . 0.0 111.141 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.923 ' CD1' HD23 ' S' ' 13' ' ' LEU . 16.7 mt -70.03 -47.2 63.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 109.892 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.815 HD12 ' O ' ' S' ' 32' ' ' VAL . 21.9 mt -70.09 -42.7 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.841 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.17 -41.06 74.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.939 -1.1 . . . . 0.0 109.694 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 62.0 t0 -71.48 -41.18 69.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 110.021 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.511 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 9.3 t70 -71.74 -41.65 68.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.146 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' S' ' 41' ' ' GLU . 1.4 tt0 -67.94 -28.8 67.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -0.94 . . . . 0.0 110.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' S' ' 40' ' ' GLU . 0.7 OUTLIER 42.11 -152.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.376 -0.828 . . . . 0.0 110.369 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 4.6 m -73.62 -158.02 0.05 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.289 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 158.2 17.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.222 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.42 157.04 34.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.137 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 139.69 30.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.195 -0.941 . . . . 0.0 110.22 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.971 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER -125.65 -95.57 0.45 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.904 . . . . 0.0 110.483 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.644 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.8 m-85 -50.85 -32.94 21.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.546 -0.721 . . . . 0.0 111.078 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.568 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER 3.01 -68.79 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.13 0.49 . . . . 0.0 111.887 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.62 ' N ' ' O ' ' S' ' 5' ' ' TYR . 33.5 t -154.47 49.16 0.61 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.132 -0.98 . . . . 0.0 111.328 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.971 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -63.1 172.93 1.59 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.276 -1.515 . . . . 0.0 108.143 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.484 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.2 OUTLIER -74.56 155.11 38.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.827 HG22 ' HD2' ' S' ' 28' ' ' LYS . 5.0 t -51.29 -27.8 6.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.607 -1.308 . . . . 0.0 109.392 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 5.4 t -68.03 -44.93 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.454 -0.779 . . . . 0.0 110.599 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -71.94 -42.54 66.51 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 118.893 -1.123 . . . . 0.0 109.213 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.906 HD11 ' HE3' ' S' ' 28' ' ' LYS . 14.2 mt -56.84 -43.99 81.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 20.6 mmtt -68.65 -32.16 71.8 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.435 -0.79 . . . . 0.0 109.318 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -49.58 62.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.925 HD21 HD12 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -64.58 -44.34 90.98 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.732 -1.23 . . . . 0.0 110.021 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.069 HD13 HD13 ' S' ' 22' ' ' LEU . 0.1 OUTLIER -64.55 -34.77 79.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.916 -1.115 . . . . 0.0 109.606 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 17.6 m -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.149 -0.97 . . . . 0.0 108.492 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -14.42 59.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -88.2 10.96 17.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.264 -0.897 . . . . 0.0 110.275 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' S' ' 20' ' ' ARG . 57.6 m-80 60.29 20.87 10.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 1.069 HD13 HD13 ' S' ' 17' ' ' LEU . 2.8 tm? -148.87 113.18 5.25 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.677 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.4 OUTLIER -83.42 173.77 11.23 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.431 -0.793 . . . . 0.0 112.318 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 0.735 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -112.95 92.97 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.684 -0.635 . . . . 0.0 109.865 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 113.86 4.26 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.498 ' HA3' ' HB3' ' S' ' 30' ' ' GLU . . . 147.55 174.99 19.97 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.522 HD23 ' H ' ' S' ' 27' ' ' LEU . 0.4 OUTLIER -66.7 179.44 1.07 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.436 -1.038 . . . . 0.0 110.738 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.906 ' HE3' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -52.15 -47.13 65.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.636 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -63.77 -39.07 93.36 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.404 -1.435 . . . . 0.0 108.553 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.519 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 42.6 mm-40 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.709 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.15 -47.27 86.97 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.319 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.977 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.85 -44.85 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 5.2 mm100 -66.34 -35.95 81.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 110.732 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.85 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -69.18 -44.65 71.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.914 HD22 ' CD1' ' S' ' 16' ' ' LEU . 35.1 mt -70.04 -49.1 54.63 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 118.667 -1.213 . . . . 0.0 111.088 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.977 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.0 mt -69.64 -38.1 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.403 -0.811 . . . . 0.0 110.398 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tttt -69.79 -37.88 76.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.006 -1.059 . . . . 0.0 108.766 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' S' ' 41' ' ' GLU . 44.5 t0 -72.27 -38.66 68.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.514 -0.741 . . . . 0.0 110.368 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.535 ' OD2' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -62.19 -41.89 98.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.107 -0.996 . . . . 0.0 110.069 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.58 -27.7 50.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.24 -0.912 . . . . 0.0 110.164 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' S' ' 38' ' ' ASP . 3.2 pt-20 -119.06 47.6 1.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 42' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' S' ' 43' ' ' LYS . 0.1 OUTLIER -85.74 -74.44 0.41 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.299 -0.876 . . . . 0.0 110.252 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 43' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' S' ' 42' ' ' SER . 2.7 ptmt 178.05 54.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p 46.07 76.29 0.1 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -1.13 . . . . 0.0 110.148 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.13 132.76 28.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.206 -0.934 . . . . 0.0 110.281 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.968 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -128.71 -95.67 0.41 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.245 -0.91 . . . . 0.0 110.378 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.923 ' CE1' HD13 ' S' ' 16' ' ' LEU . 6.9 m-85 -50.37 -24.63 3.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.553 -0.717 . . . . 0.0 110.615 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.542 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER -10.75 -55.1 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.601 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.5 OUTLIER -153.91 44.29 0.57 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.741 -1.224 . . . . 0.0 112.491 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.968 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -77.96 157.55 29.67 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 117.439 -1.704 . . . . 0.0 107.946 177.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.462 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 16.1 p -75.64 162.87 27.88 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 118.781 -1.167 . . . . 0.0 108.01 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' S' ' 13' ' ' LEU . 3.3 m -50.4 -27.2 4.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 120.775 -1.203 . . . . 0.0 109.79 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -46.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.36 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.607 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.9 -44.25 61.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.756 -1.215 . . . . 0.0 108.72 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.982 HD11 ' HE3' ' S' ' 28' ' ' LYS . 9.9 mt -57.09 -40.9 77.9 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 72.8 tttt -69.18 -33.09 72.84 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.644 -0.66 . . . . 0.0 109.455 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -66.86 -50.04 63.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.982 . . . . 0.0 110.011 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.937 HD21 HD12 ' S' ' 8' ' ' LEU . 0.0 OUTLIER -61.75 -45.01 95.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.947 -1.096 . . . . 0.0 109.851 179.503 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.132 ' CD1' HG13 ' S' ' 24' ' ' VAL . 5.0 mt -68.65 -33.72 74.48 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.946 -1.096 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -59.62 -43.42 93.82 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -78.98 -16.59 56.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.722 -0.611 . . . . 0.0 109.79 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.585 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 3.8 ttt-85 -87.5 -5.77 58.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.308 -0.87 . . . . 0.0 110.335 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 3.8 t30 69.75 22.87 5.9 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.889 HD13 ' O ' ' S' ' 22' ' ' LEU . 2.5 tm? -146.03 80.79 1.58 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.904 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -47.6 -176.85 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.406 -0.808 . . . . 0.0 112.182 -178.325 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.132 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER -119.35 71.81 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.34 115.86 7.48 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' S' ' 30' ' ' GLU . . . 140.07 171.64 12.47 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.533 ' N ' ' HB2' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -66.01 179.51 0.9 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.437 -1.037 . . . . 0.0 110.645 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.982 ' HE3' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -53.25 -48.35 68.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 110.489 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -63.19 -39.13 93.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.466 -1.396 . . . . 0.0 108.623 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.533 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 26.6 mm-40 -56.33 -39.48 72.89 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.738 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.2 OUTLIER -61.13 -47.82 84.48 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.101 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.45 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -55.41 -43.21 70.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.659 178.663 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.9 mm-40 -67.45 -36.43 81.16 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.467 -0.771 . . . . 0.0 110.988 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.809 ' HG2' HD11 ' S' ' 17' ' ' LEU . 7.5 ttm180 -69.86 -44.44 69.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.755 -1.216 . . . . 0.0 111.178 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.778 HD22 HD12 ' S' ' 16' ' ' LEU . 13.7 mt -70.6 -47.85 58.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.004 -1.06 . . . . 0.0 110.684 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.534 ' HA ' ' OD1' ' S' ' 39' ' ' ASP . 39.8 mt -71.16 -39.77 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.478 -0.763 . . . . 0.0 110.667 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -70.3 -37.72 74.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.933 -1.104 . . . . 0.0 109.196 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 20.1 t0 -71.85 -45.05 62.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.435 -0.791 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.534 ' OD1' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -65.87 -47.99 73.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 110.309 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' S' ' 42' ' ' SER . 3.6 tt0 -68.39 -35.86 78.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.01 -93.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.299 -0.876 . . . . 0.0 110.133 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 42' ' ' SER . . . . . 0.504 ' N ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER -76.34 175.51 9.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.088 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' OE1' ' S' ' 40' ' ' GLU . 4.6 mttt -133.6 55.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.175 -0.953 . . . . 0.0 110.224 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' S' S ' 2' ' ' SER . . . . . 0.618 ' O ' ' HB2' ' S' ' 3' ' ' ALA . 24.2 p -169.64 48.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 3' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' S' ' 2' ' ' SER . . . 174.62 163.61 0.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.195 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.981 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.9 OUTLIER -118.54 -95.57 0.48 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.218 -0.926 . . . . 0.0 110.637 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.89 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.4 m-85 -50.3 -29.01 8.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.623 -0.673 . . . . 0.0 111.443 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.576 ' C ' ' O ' ' S' ' 5' ' ' TYR . 1.0 OUTLIER -5.12 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.364 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.595 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -153.77 47.51 0.64 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.995 -1.066 . . . . 0.0 111.826 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.981 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -70.05 163.3 26.47 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 117.783 -1.567 . . . . 0.0 107.956 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.828 ' O ' HD12 ' S' ' 13' ' ' LEU . 3.1 m -75.19 156.48 35.79 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 5.5 p -49.17 -27.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.655 -1.278 . . . . 0.0 109.603 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.81 ' H ' HG22 ' S' ' 9' ' ' THR . 6.8 t -67.21 -44.09 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 0.0 110.247 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.28 -44.95 62.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.875 -1.141 . . . . 0.0 109.498 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.97 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.3 mp -56.22 -43.47 78.6 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.303 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 25.1 tttt -67.79 -32.01 72.29 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.502 -0.749 . . . . 0.0 109.727 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -68.48 -50.36 52.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 0.0 110.351 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.89 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -62.8 -44.94 94.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.814 -1.179 . . . . 0.0 109.928 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.081 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.1 mt -68.19 -34.08 75.61 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.285 -0.884 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -60.01 -45.37 93.0 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -78.97 -14.65 59.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.663 -0.648 . . . . 0.0 110.165 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.562 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 0.2 OUTLIER -87.59 -3.69 58.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.145 -0.972 . . . . 0.0 110.453 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 71.06 20.96 5.04 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.811 HD13 ' O ' ' S' ' 22' ' ' LEU . 1.1 tm? -146.81 86.64 1.66 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.955 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -49.1 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.365 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.081 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -109.64 152.04 11.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.493 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -39.47 -98.37 0.01 OUTLIER Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.26 -65.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.594 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 2.0 mm? -61.84 155.66 22.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.081 -1.247 . . . . 0.0 110.61 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' S' ' 8' ' ' LEU . 5.5 tptm -53.99 -44.18 70.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 29' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 2.1 m-20 -66.87 -41.14 87.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.533 ' CG ' ' HB2' ' S' ' 27' ' ' LEU . 3.7 mm-40 -55.93 -37.37 68.85 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.885 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.5 -48.5 72.37 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.318 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.422 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -56.64 -44.02 80.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.233 178.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 56.9 mt-30 -67.33 -38.06 84.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.534 -0.729 . . . . 0.0 110.883 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.897 ' HG2' HD11 ' S' ' 17' ' ' LEU . 3.5 ttm180 -66.75 -44.32 81.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.663 -1.273 . . . . 0.0 110.974 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.97 ' CD1' HD23 ' S' ' 13' ' ' LEU . 14.8 mt -70.01 -48.14 59.29 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.877 -1.139 . . . . 0.0 110.496 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 55.4 mt -70.97 -40.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.7 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 11.9 tmtt? -69.32 -41.15 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 109.22 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 13.5 m-20 -71.99 -36.39 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -0.838 . . . . 0.0 110.125 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.478 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 3.2 t0 -71.66 -44.87 63.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 110.61 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.6 OUTLIER -62.67 -31.77 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.103 -0.998 . . . . 0.0 110.196 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -91.96 117.29 29.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 0.0 110.148 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 68.8 p -90.48 -16.41 28.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.861 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -93.1 166.07 12.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 110.172 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' S' S ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' S' ' 3' ' ' ALA . 0.7 OUTLIER -100.84 53.55 0.85 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.269 -1.136 . . . . 0.0 110.091 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 3' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' S' ' 2' ' ' SER . . . 42.72 71.98 0.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 110.308 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 1.08 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.4 OUTLIER -128.44 -95.09 0.42 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.207 -0.933 . . . . 0.0 110.481 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.943 ' CE1' HD13 ' S' ' 16' ' ' LEU . 15.8 m-85 -50.17 -35.15 25.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.667 -0.646 . . . . 0.0 111.967 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.7 OUTLIER 4.95 -72.09 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.134 0.492 . . . . 0.0 112.076 -179.666 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -150.84 57.75 0.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.176 -0.952 . . . . 0.0 110.851 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 1.08 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -77.87 -177.26 4.84 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.771 -1.205 . . . . 0.0 109.192 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.947 ' O ' HD12 ' S' ' 13' ' ' LEU . 40.1 p -81.48 136.5 35.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.181 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -48.14 -30.52 2.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.327 -1.483 . . . . 0.0 109.876 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -47.15 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.184 -0.948 . . . . 0.0 109.925 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.959 ' OE1' HD21 ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.95 -38.09 66.88 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 1.157 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.1 mp -57.37 -39.65 76.48 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.3 OUTLIER -67.27 -31.09 71.18 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 51.4 t0 -67.93 -49.85 59.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.262 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.959 HD21 ' OE1' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -60.76 -43.91 97.39 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.485 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.046 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.8 mt -70.09 -33.22 71.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.711 -1.243 . . . . 0.0 110.13 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.64 -41.8 86.84 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -17.17 56.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HD3' ' CD2' ' S' ' 17' ' ' LEU . 3.8 ttt85 -86.8 -3.42 59.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.425 -0.797 . . . . 0.0 110.42 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 66.42 23.32 10.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.778 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.3 tm? -147.43 81.22 1.52 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.877 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -45.61 177.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 111.038 -178.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.046 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER -104.61 154.77 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.833 -179.651 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -39.06 -98.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.02 -81.98 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.36 167.38 4.24 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -1.226 . . . . 0.0 111.05 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.607 ' HE2' HD13 ' S' ' 13' ' ' LEU . 3.6 tptp -51.85 -46.87 64.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.784 . . . . 0.0 111.275 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.42 -43.36 94.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.842 -1.161 . . . . 0.0 110.301 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' HG ' ' S' ' 27' ' ' LEU . 21.0 mm-40 -56.34 -38.24 71.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.84 -1.163 . . . . 0.0 108.552 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.923 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.19 -47.19 77.82 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.6 OUTLIER -60.28 -44.48 95.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.575 0.703 . . . . 0.0 109.608 179.052 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 7.6 mt-30 -67.66 -42.73 81.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.467 -0.771 . . . . 0.0 111.119 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.803 ' HG2' HD11 ' S' ' 17' ' ' LEU . 6.2 ttm-85 -64.58 -44.48 90.53 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.881 -1.137 . . . . 0.0 111.102 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 1.157 ' CD1' HD23 ' S' ' 13' ' ' LEU . 11.9 mt -70.98 -46.78 61.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.691 -1.256 . . . . 0.0 110.52 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.444 HG13 ' O ' ' S' ' 32' ' ' VAL . 62.7 mt -69.47 -43.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 110.547 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -70.72 -42.85 70.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.055 -1.028 . . . . 0.0 109.96 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 9.9 t0 -71.46 -46.23 60.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 43.5 t0 -66.15 -34.68 78.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -72.45 -27.35 62.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 110.038 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.62 -32.19 47.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.126 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.35 -22.48 26.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.38 165.96 12.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.225 -0.922 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' S' S ' 2' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' S' ' 3' ' ' ALA . 0.8 OUTLIER -175.84 -159.08 0.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -1.187 . . . . 0.0 110.172 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 3' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' S' ' 2' ' ' SER . . . 63.33 133.32 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -0.876 . . . . 0.0 110.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.942 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.4 OUTLIER -128.16 -95.1 0.43 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.279 -0.888 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.781 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.7 m-85 -49.4 -26.92 3.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.768 -0.583 . . . . 0.0 111.476 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.577 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -5.86 -62.14 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-O 121.074 0.464 . . . . 0.0 112.164 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 3.8 m -153.95 52.46 0.69 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.099 -1.001 . . . . 0.0 111.126 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.942 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -70.82 171.48 10.53 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.558 -1.339 . . . . 0.0 108.776 178.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.697 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.3 t -76.4 140.43 41.35 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.512 HG23 ' HG ' ' S' ' 31' ' ' LEU . 3.2 p -48.04 -33.84 4.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.863 -1.148 . . . . 0.0 111.0 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.543 HG13 ' N ' ' S' ' 12' ' ' GLN . 4.2 p -65.64 -45.57 91.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 120.831 -1.168 . . . . 0.0 110.042 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.697 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -72.69 -34.13 66.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 109.77 179.588 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.889 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.01 -40.18 80.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.326 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.541 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 14.2 mtmt -67.66 -32.68 73.53 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.512 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 9.4 t0 -65.55 -49.63 68.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 0.0 110.666 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.801 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.65 -44.88 89.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.643 -1.285 . . . . 0.0 109.781 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.061 HD13 ' O ' ' S' ' 23' ' ' SER . 7.5 mt -67.78 -34.63 77.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.894 -1.129 . . . . 0.0 110.013 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -59.89 -43.4 94.8 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -78.58 -13.54 59.78 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.589 -0.694 . . . . 0.0 109.532 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 18.7 ttt85 -87.2 7.93 26.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.376 -0.828 . . . . 0.0 110.265 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 8.9 t-20 64.36 19.42 11.79 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.912 HD13 ' O ' ' S' ' 23' ' ' SER . 2.7 tm? -151.19 123.12 8.13 Favored 'General case' 0 C--O 1.2 -1.503 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.061 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.8 OUTLIER -80.14 -168.1 1.54 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.691 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.053 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.93 160.61 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.295 -0.878 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.53 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -48.81 -110.32 0.01 OUTLIER Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.0 -85.24 0.12 Allowed Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.003 -1.292 . . . . 0.0 110.347 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.583 HD11 ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.56 172.7 1.13 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.995 -1.297 . . . . 0.0 110.584 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.503 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -59.8 -47.0 87.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 111.261 -179.045 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 29' ' ' ASN . . . . . 0.512 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.0 OUTLIER -62.34 -34.35 76.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.739 -1.225 . . . . 0.0 109.511 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.583 ' HG2' HD11 ' S' ' 27' ' ' LEU . 10.0 mm-40 -66.99 -38.3 85.77 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.91 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.03 -48.21 74.65 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.038 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' S' ' 36' ' ' ILE 0.25 0.8 OUTLIER -59.36 -45.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.314 179.37 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.4 -35.67 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.537 -0.727 . . . . 0.0 110.518 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.938 ' HG2' HD11 ' S' ' 17' ' ' LEU . 5.6 ttm105 -68.32 -43.58 77.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.931 -1.106 . . . . 0.0 110.855 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.889 ' CD1' HD23 ' S' ' 13' ' ' LEU . 21.3 mt -69.13 -47.13 65.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.533 -1.354 . . . . 0.0 109.669 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' S' ' 40' ' ' GLU . 34.4 mt -68.09 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 110.113 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.91 -44.96 65.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.181 -0.949 . . . . 0.0 109.968 179.233 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 16.8 t70 -68.19 -42.72 79.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.928 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.518 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 8.9 t70 -73.54 -32.09 64.01 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.36 -0.837 . . . . 0.0 110.221 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' S' ' 36' ' ' ILE . 5.6 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.932 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' S' ' 42' ' ' SER . 0.1 OUTLIER 64.57 32.39 11.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 42' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' S' ' 41' ' ' GLU . 1.7 t 68.42 -63.75 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.222 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 43' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' S' ' 41' ' ' GLU . 1.4 mptt -101.94 157.1 17.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.146 -0.971 . . . . 0.0 110.265 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -1.145 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.12 90.95 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 110.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.975 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER -128.78 -95.82 0.4 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.235 -0.915 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 1.038 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.1 m-85 -49.7 -28.33 5.88 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.618 -0.676 . . . . 0.0 110.75 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.525 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -14.41 -50.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 75.8 m -151.17 43.56 0.78 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.332 -1.347 . . . . 0.0 113.109 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.975 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -83.65 158.77 21.74 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 117.412 -1.715 . . . . 0.0 108.281 177.779 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 2.5 p -75.47 162.18 28.56 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.292 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.576 ' HA ' HD12 ' S' ' 13' ' ' LEU . 7.7 p -50.75 -27.3 4.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 120.964 -1.085 . . . . 0.0 109.296 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.479 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 14.6 t -67.97 -45.13 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.592 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.9 OUTLIER -71.76 -44.96 63.15 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 118.493 -1.283 . . . . 0.0 109.497 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.791 ' HB3' HD11 ' S' ' 35' ' ' LEU . 3.5 mt -57.46 -43.67 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.567 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 3.0 tppp? -66.3 -33.14 75.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.387 -0.82 . . . . 0.0 109.215 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.493 ' HA ' ' OG1' ' S' ' 18' ' ' THR . 0.1 OUTLIER -70.25 -49.12 53.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.343 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 1.038 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -59.89 -43.88 94.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 118.585 -1.246 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.048 ' CD1' HG13 ' S' ' 24' ' ' VAL . 7.6 mt -71.24 -34.04 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.544 -1.347 . . . . 0.0 110.966 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 18' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' S' ' 15' ' ' ASP . 0.7 OUTLIER -59.07 -40.47 85.31 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -79.2 -17.83 54.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.74 -0.6 . . . . 0.0 109.454 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 4.2 ttt180 -87.17 -4.4 59.11 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.86 . . . . 0.0 110.321 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 67.78 22.4 8.86 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.798 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.2 tm? -145.37 82.1 1.64 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.876 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -45.08 176.48 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.218 -0.926 . . . . 0.0 111.247 -178.389 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.048 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER -105.44 155.13 6.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.881 -179.6 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -34.52 -99.73 0.01 OUTLIER Glycine 0 N--CA 1.498 2.809 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.46 ' C ' HD23 ' S' ' 27' ' ' LEU . . . -163.29 -46.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.151 -1.206 . . . . 0.0 110.536 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.818 HD23 ' N ' ' S' ' 27' ' ' LEU . 0.1 OUTLIER -90.05 162.21 15.45 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.854 -1.38 . . . . 0.0 109.834 -179.685 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.576 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 6.7 tptm -51.33 -46.63 62.7 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.0 -1.062 . . . . 0.0 109.827 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -66.09 -43.64 86.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.041 . . . . 0.0 109.775 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.478 ' HG3' ' HG ' ' S' ' 27' ' ' LEU . 1.9 mm-40 -55.72 -35.99 66.73 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.119 -0.988 . . . . 0.0 108.534 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.928 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -66.23 -47.4 73.93 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.178 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.439 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -58.38 -43.94 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.562 0.696 . . . . 0.0 109.239 178.62 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 6.7 mm-40 -67.9 -43.67 78.75 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.462 -0.773 . . . . 0.0 111.402 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.743 ' HG2' HD11 ' S' ' 17' ' ' LEU . 5.5 ttm-85 -63.93 -44.08 93.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.809 -1.182 . . . . 0.0 110.913 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' S' ' 13' ' ' LEU . 12.7 mt -71.41 -47.33 56.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.12 -0.988 . . . . 0.0 110.691 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 54.1 mt -69.57 -40.1 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.461 -0.774 . . . . 0.0 109.715 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 15.1 ttmt -70.73 -40.97 72.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 30.9 t0 -70.67 -43.5 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.297 -0.877 . . . . 0.0 109.825 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.7 t70 -68.98 -32.2 71.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.83 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' S' ' 42' ' ' SER . 1.2 mm-40 -73.57 -37.6 65.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.27 -0.894 . . . . 0.0 109.918 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER 65.39 -69.27 0.1 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 110.171 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 42' ' ' SER . . . . . 0.495 ' N ' ' O ' ' S' ' 40' ' ' GLU . 27.7 m -58.86 -179.45 0.07 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.192 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 16.5 mttm 51.48 -172.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m 54.56 57.86 5.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -1.161 . . . . 0.0 110.189 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.32 57.08 0.65 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 1.018 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -129.03 -95.74 0.4 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.243 -0.91 . . . . 0.0 110.592 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.82 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.8 m-85 -50.32 -29.86 10.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 0.0 111.416 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.8 OUTLIER 0.07 -67.15 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 121.068 0.461 . . . . 0.0 112.013 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.598 ' N ' ' O ' ' S' ' 5' ' ' TYR . 25.2 t -153.66 54.81 0.73 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.928 . . . . 0.0 111.004 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 1.018 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -71.85 177.05 4.46 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.636 -1.29 . . . . 0.0 109.265 179.239 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.769 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.5 t -81.67 143.91 31.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.77 -34.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.706 -1.246 . . . . 0.0 110.966 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.596 HG13 ' N ' ' S' ' 12' ' ' GLN . 11.3 p -66.66 -45.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.771 -1.206 . . . . 0.0 110.344 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.769 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.22 -34.75 66.09 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.701 -1.25 . . . . 0.0 109.83 179.566 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.953 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.4 -39.66 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.333 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.675 ' O ' HG23 ' S' ' 18' ' ' THR . 4.3 ttmm -70.12 -30.63 67.87 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' S' ' 18' ' ' THR . 22.5 t0 -65.51 -49.43 69.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.931 . . . . 0.0 110.183 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -64.77 -44.59 89.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.703 -1.248 . . . . 0.0 109.697 179.487 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.059 HD13 ' O ' ' S' ' 23' ' ' SER . 7.6 mt -68.02 -36.64 80.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.943 -1.098 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 18' ' ' THR . . . . . 0.675 HG23 ' O ' ' S' ' 14' ' ' LYS . 4.5 p -59.74 -42.09 92.4 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.71 -13.91 59.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.677 -0.639 . . . . 0.0 109.549 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 23.1 ttt85 -87.59 8.25 26.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.42 -0.8 . . . . 0.0 110.372 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.14 20.47 12.0 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.528 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.902 HD13 ' O ' ' S' ' 23' ' ' SER . 2.7 tm? -153.57 123.17 6.71 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.059 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -80.43 -167.89 1.51 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.77 -1.206 . . . . 0.0 110.626 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.045 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.44 159.93 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 110.354 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.551 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -45.05 -103.92 0.01 OUTLIER Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.415 ' H ' ' CB ' ' S' ' 30' ' ' GLU . . . -149.87 -79.17 0.02 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.555 ' CG ' ' HG2' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -65.65 167.96 8.33 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.015 -1.286 . . . . 0.0 111.049 -179.137 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 4.6 tptm -52.03 -47.21 65.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.556 -0.715 . . . . 0.0 111.34 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -65.37 -42.27 92.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.797 -1.189 . . . . 0.0 110.038 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.555 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 12.7 mm-40 -56.36 -37.68 70.38 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.76 -1.176 . . . . 0.0 108.336 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.885 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -64.26 -48.34 76.14 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.479 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.59 -45.79 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.545 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 2.8 mt-30 -67.03 -35.7 80.47 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.529 -0.732 . . . . 0.0 110.52 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.921 ' HG2' HD11 ' S' ' 17' ' ' LEU . 9.6 ttm180 -68.84 -44.0 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.001 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.953 ' CD1' HD23 ' S' ' 13' ' ' LEU . 23.3 mt -69.26 -47.23 65.26 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 118.098 -1.441 . . . . 0.0 109.807 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 21.4 mt -68.81 -43.06 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 119.474 -0.89 . . . . 0.0 110.245 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -71.34 -47.17 58.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.012 -1.055 . . . . 0.0 110.24 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 29.3 t0 -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.472 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 9.1 t0 -66.84 -29.41 69.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.258 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 45.8 tt0 -70.35 -37.14 74.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.0 110.196 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -66.95 107.9 2.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.218 -0.926 . . . . 0.0 110.186 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -92.77 139.58 30.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 110.217 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.62 141.04 51.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -0.945 . . . . 0.0 110.14 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.5 96.68 2.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -1.158 . . . . 0.0 110.167 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.09 -135.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.923 . . . . 0.0 110.245 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.973 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER -114.69 -94.63 0.47 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.121 -0.987 . . . . 0.0 110.474 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.752 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.0 m-85 -49.38 -27.37 3.98 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.635 -0.666 . . . . 0.0 111.274 -178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.2 -62.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 121.051 0.453 . . . . 0.0 112.124 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.579 ' N ' ' O ' ' S' ' 5' ' ' TYR . 8.7 m -153.31 54.5 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.12 -0.987 . . . . 0.0 111.1 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.973 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -73.03 174.98 7.1 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.657 -1.277 . . . . 0.0 109.043 179.165 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.748 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.2 t -81.6 143.75 31.73 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.411 HG13 ' N ' ' S' ' 11' ' ' VAL . 7.1 p -48.43 -35.78 6.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 120.785 -1.197 . . . . 0.0 111.088 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 2.6 p -66.23 -46.0 88.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 120.845 -1.16 . . . . 0.0 110.302 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.718 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -72.84 -34.8 67.02 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.604 -1.31 . . . . 0.0 109.881 179.771 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.951 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.57 -40.07 82.07 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.45 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.524 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 1.8 tttt -69.1 -30.99 69.4 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.611 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -65.5 -49.54 68.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 110.268 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.788 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.29 -45.15 89.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.654 -1.279 . . . . 0.0 109.757 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.062 HD13 ' O ' ' S' ' 23' ' ' SER . 7.4 mt -67.65 -34.41 76.9 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.803 -1.186 . . . . 0.0 109.966 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -78.44 -13.77 59.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.653 -0.654 . . . . 0.0 109.376 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 6.1 ttt85 -86.99 7.51 27.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.24 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 64.6 20.31 12.1 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -178.355 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.913 HD13 ' O ' ' S' ' 23' ' ' SER . 2.8 tm? -152.15 122.67 7.33 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.062 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.8 OUTLIER -79.92 -167.49 1.29 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.682 -1.261 . . . . 0.0 110.608 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.038 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.36 160.98 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 110.298 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.554 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -46.62 -104.95 0.01 OUTLIER Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 26' ' ' GLY . . . . . 0.407 ' H ' ' CB ' ' S' ' 30' ' ' GLU . . . -148.84 -80.49 0.03 OUTLIER Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.167 -1.196 . . . . 0.0 110.174 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.535 ' CG ' ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -63.93 167.76 5.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.056 -1.261 . . . . 0.0 110.92 -179.103 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.598 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.3 OUTLIER -52.09 -47.33 65.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.65 -0.656 . . . . 0.0 111.354 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.95 -42.71 94.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.758 -1.213 . . . . 0.0 110.218 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.535 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 19.1 mm-40 -56.1 -38.92 71.39 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.418 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.94 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.58 -48.36 77.73 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.596 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.564 HG12 ' HG2' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -59.71 -45.63 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 109.822 179.255 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.564 ' HG2' HG12 ' S' ' 32' ' ' VAL . 5.8 mm100 -66.95 -36.76 82.94 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 110.617 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.955 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.02 -43.78 78.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 111.139 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.951 ' CD1' HD23 ' S' ' 13' ' ' LEU . 27.3 mt -68.82 -46.79 67.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.464 -1.397 . . . . 0.0 109.727 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.529 ' HA ' ' OD2' ' S' ' 39' ' ' ASP . 34.6 mt -68.06 -39.49 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.15 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -71.53 -38.57 71.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.89 -1.131 . . . . 0.0 109.766 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.493 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 6.2 t0 -71.45 -43.63 66.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.586 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -62.04 -28.07 69.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.05 -1.031 . . . . 0.0 110.129 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' S' ' 41' ' ' GLU . 0.5 OUTLIER -55.35 -34.34 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.207 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.7 OUTLIER 64.54 102.01 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.0 110.151 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -63.87 1.21 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.77 5.47 4.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.215 -0.928 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.09 -176.03 3.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -1.118 . . . . 0.0 110.211 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.53 64.74 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.877 . . . . 0.0 110.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.947 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER -120.33 -95.95 0.48 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.177 -0.952 . . . . 0.0 110.357 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 1.036 ' CE1' HD13 ' S' ' 16' ' ' LEU . 8.5 m-85 -50.05 -26.27 4.21 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.516 -0.74 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.514 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -18.23 -46.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.03 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -151.55 40.58 0.68 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.431 -1.418 . . . . 0.0 113.325 -179.283 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.947 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -84.24 155.75 22.32 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 117.266 -1.773 . . . . 0.0 108.203 177.727 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 16.4 p -75.45 162.38 28.4 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.685 ' HA ' HD12 ' S' ' 13' ' ' LEU . 34.4 m -50.34 -27.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.723 -1.236 . . . . 0.0 109.586 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.458 HG12 ' OE1' ' S' ' 12' ' ' GLN . 17.2 t -66.31 -46.59 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 110.437 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -73.03 -43.99 61.37 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.581 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' S' ' 10' ' ' VAL . 12.0 mt -56.2 -43.15 78.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.506 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 8.6 tttt -69.32 -32.66 71.92 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.441 -0.787 . . . . 0.0 109.518 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -66.79 -50.19 63.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.028 -1.045 . . . . 0.0 109.94 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 1.036 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -61.58 -44.52 96.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.885 -1.134 . . . . 0.0 109.81 179.435 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.058 ' CD1' HG13 ' S' ' 24' ' ' VAL . 8.6 mt -68.9 -33.93 74.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.887 -1.133 . . . . 0.0 110.438 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -59.76 -43.65 94.2 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -15.44 57.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.689 -0.632 . . . . 0.0 110.158 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 1.8 ttt-85 -87.3 -0.01 56.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.14 -0.975 . . . . 0.0 110.664 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.9 t30 69.35 20.73 7.25 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.713 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -147.63 96.22 2.64 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.027 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -54.37 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.699 -1.251 . . . . 0.0 110.756 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.058 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -112.55 157.01 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.452 -0.78 . . . . 0.0 110.93 -179.298 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.536 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -41.06 -94.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.23 -85.98 0.05 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.57 HD23 ' H ' ' S' ' 27' ' ' LEU . 0.3 OUTLIER -62.57 167.8 4.14 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -1.209 . . . . 0.0 110.9 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' S' ' 10' ' ' VAL . 0.3 OUTLIER -51.95 -47.33 64.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.538 -0.727 . . . . 0.0 111.333 -179.215 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.06 -42.86 96.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.737 -1.227 . . . . 0.0 109.789 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.553 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 61.0 mm-40 -56.27 -37.2 69.49 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.339 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.862 HD13 HG11 ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.98 -48.11 77.74 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.09 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.822 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.28 -44.13 83.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.448 -0.782 . . . . 0.0 109.341 178.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 46.5 mt-30 -67.18 -44.08 80.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.448 -0.783 . . . . 0.0 111.066 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.893 ' HG2' HD11 ' S' ' 17' ' ' LEU . 4.0 ttm-85 -61.9 -44.59 96.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.931 -1.106 . . . . 0.0 111.289 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.734 HD22 HD12 ' S' ' 16' ' ' LEU . 15.4 mt -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.975 -1.078 . . . . 0.0 111.036 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.822 HD12 ' O ' ' S' ' 32' ' ' VAL . 22.9 mt -70.07 -37.11 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.421 -0.799 . . . . 0.0 110.174 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 8.2 mmmt -70.9 -40.48 72.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.023 -1.048 . . . . 0.0 108.882 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 0.8 OUTLIER -71.69 -37.39 70.71 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.511 -0.743 . . . . 0.0 109.983 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.8 OUTLIER -71.01 -37.67 72.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.448 -0.782 . . . . 0.0 110.258 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.1 OUTLIER -70.23 -46.18 64.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.986 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' S' ' 40' ' ' GLU . 3.0 tp10 52.66 170.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.194 -0.941 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 7.3 m 53.35 -166.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 43' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' S' ' 43' ' ' LYS . 0.4 OUTLIER -135.67 73.96 1.49 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -81.4 -28.17 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -1.18 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.48 69.92 0.51 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 110.14 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 1.023 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER -118.45 -95.19 0.49 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.286 -0.884 . . . . 0.0 110.443 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.785 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.7 m-85 -49.52 -29.89 7.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.599 -0.688 . . . . 0.0 111.13 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.575 ' C ' ' O ' ' S' ' 5' ' ' TYR . 3.3 p -0.83 -66.89 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.181 0.515 . . . . 0.0 112.072 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.583 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER -152.47 54.78 0.8 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 110.971 179.49 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 1.023 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -72.02 177.86 4.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.733 -1.229 . . . . 0.0 109.217 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.818 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.5 t -82.03 142.89 31.96 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.5 -34.15 5.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.781 -1.199 . . . . 0.0 110.984 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.616 HG12 ' OG1' ' S' ' 9' ' ' THR . 12.4 p -66.89 -45.98 86.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.748 -1.22 . . . . 0.0 110.378 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.767 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.5 -35.02 65.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.686 -1.259 . . . . 0.0 110.013 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 1.059 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.98 -40.31 84.44 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 177.614 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.726 ' O ' HG23 ' S' ' 18' ' ' THR . 2.2 tttt -69.78 -31.35 69.23 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 15' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' S' ' 18' ' ' THR . 46.9 t0 -64.49 -49.44 71.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 110.249 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.16 -44.41 84.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.777 -1.202 . . . . 0.0 109.988 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.076 HD13 HD13 ' S' ' 22' ' ' LEU . 0.1 OUTLIER -66.44 -37.83 86.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.658 -1.276 . . . . 0.0 109.907 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 18' ' ' THR . . . . . 0.726 HG23 ' O ' ' S' ' 14' ' ' LYS . 11.6 p -61.37 -42.53 98.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 108.391 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -78.51 -14.59 59.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.592 -0.692 . . . . 0.0 109.956 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 25.6 ttt85 -87.89 8.55 25.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 52.4 t30 66.0 21.84 11.26 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 1.076 HD13 HD13 ' S' ' 17' ' ' LEU . 2.4 tm? -153.79 114.43 4.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 23' ' ' SER . . . . . 0.648 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.4 OUTLIER -81.34 171.66 14.52 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.259 -0.901 . . . . 0.0 111.743 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 0.796 ' CB ' HD13 ' S' ' 31' ' ' LEU . 0.0 OUTLIER -103.54 137.9 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.391 -0.818 . . . . 0.0 111.619 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -25.8 -103.64 0.0 OUTLIER Glycine 0 N--CA 1.501 3.02 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.805 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.65 -73.5 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.497 -1.335 . . . . 0.0 111.017 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.606 HD11 ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.95 162.66 8.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.029 -1.277 . . . . 0.0 111.277 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.633 ' HZ1' HD13 ' S' ' 13' ' ' LEU . 3.0 tptp -51.74 -46.97 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.637 -0.665 . . . . 0.0 111.255 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -63.75 -41.08 98.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.685 -1.259 . . . . 0.0 109.812 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.606 ' HG2' HD11 ' S' ' 27' ' ' LEU . 33.9 mm-40 -56.41 -38.03 70.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.696 -1.253 . . . . 0.0 108.247 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.896 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.3 OUTLIER -65.71 -47.71 74.45 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.796 0.808 . . . . 0.0 109.727 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 0.47 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.216 179.764 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 44.7 mt-30 -67.64 -39.37 84.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.302 -0.874 . . . . 0.0 110.622 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.763 ' CG ' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -65.34 -45.34 84.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.939 -1.1 . . . . 0.0 110.605 -179.289 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 1.059 ' CD1' HD23 ' S' ' 13' ' ' LEU . 43.6 mt -69.46 -46.99 65.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.911 -1.516 . . . . 0.0 110.437 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.533 ' O ' ' CG ' ' S' ' 40' ' ' GLU . 48.7 mt -69.5 -42.93 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 110.796 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 1.6 mtpm? -70.07 -41.45 74.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.912 -1.118 . . . . 0.0 109.613 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 34.7 t70 -71.94 -41.92 67.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.488 -0.758 . . . . 0.0 110.295 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.534 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 15.1 t0 -72.76 -36.5 67.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.306 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' S' ' 36' ' ' ILE . 7.1 mm-40 -55.62 -43.58 76.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.108 -0.995 . . . . 0.0 110.045 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.07 96.41 6.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.259 -0.901 . . . . 0.0 110.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 42' ' ' SER . . . . . 0.492 ' O ' ' N ' ' S' ' 44' ' ' GLY . 11.3 m -86.69 65.9 9.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 110.281 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm 52.94 -88.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 110.238 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 44' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' S' ' 42' ' ' SER . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.21 16.57 5.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -1.154 . . . . 0.0 110.238 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.7 120.47 18.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 110.246 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 4' ' ' ASP . . . . . 0.969 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.6 OUTLIER -128.9 -95.12 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.235 -0.915 . . . . 0.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 5' ' ' TYR . . . . . 0.883 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.6 m-85 -49.97 -28.4 6.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.763 -0.585 . . . . 0.0 111.837 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 6' ' ' SER . . . . . 0.567 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.83 -61.49 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 95.3 p -153.51 55.73 0.75 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.97 -1.082 . . . . 0.0 111.352 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.969 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.19 177.28 5.89 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.593 -1.317 . . . . 0.0 109.237 179.068 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 9' ' ' THR . . . . . 0.777 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.7 t -82.49 146.35 29.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.992 -1.068 . . . . 0.0 108.335 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 10' ' ' VAL . . . . . 0.421 HG13 ' N ' ' S' ' 11' ' ' VAL . 4.3 p -48.93 -37.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 120.786 -1.197 . . . . 0.0 111.119 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 11' ' ' VAL . . . . . 0.589 HG13 ' N ' ' S' ' 12' ' ' GLN . 10.7 p -65.52 -46.2 90.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.818 -1.176 . . . . 0.0 110.645 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 12' ' ' GLN . . . . . 0.777 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.06 -35.04 66.62 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.717 -1.24 . . . . 0.0 110.09 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 13' ' ' LEU . . . . . 0.922 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.64 -39.5 80.72 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.483 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 14' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.7 tttt -69.96 -30.77 68.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.8 -49.71 69.6 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.203 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 16' ' ' LEU . . . . . 0.883 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -65.49 -45.24 84.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.767 -1.208 . . . . 0.0 109.914 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 17' ' ' LEU . . . . . 1.068 HD13 ' O ' ' S' ' 23' ' ' SER . 7.4 mt -67.54 -34.66 77.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.109 . . . . 0.0 110.076 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 13.7 m -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -13.82 59.65 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 120.204 -0.599 . . . . 0.0 109.424 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 20' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 12.1 ttt-85 -87.4 7.76 27.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.392 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 21' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t30 64.7 18.66 11.53 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 22' ' ' LEU . . . . . 0.92 HD13 ' O ' ' S' ' 23' ' ' SER . 2.8 tm? -150.18 120.14 7.16 Favored 'General case' 0 C--O 1.201 -1.469 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 23' ' ' SER . . . . . 1.068 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -77.78 -166.98 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.733 -1.229 . . . . 0.0 110.567 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 24' ' ' VAL . . . . . 1.05 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.67 164.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 110.413 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 0.556 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -55.86 -136.34 0.0 OUTLIER Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.9 -82.35 1.16 Allowed Glycine 0 N--CA 1.493 2.453 0 O-C-N 120.787 -1.42 . . . . 0.0 111.045 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 27' ' ' LEU . . . . . 0.537 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.93 165.28 5.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.081 -1.246 . . . . 0.0 111.497 -178.47 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.551 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 5.8 tptp -52.36 -47.21 66.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.346 -0.846 . . . . 0.0 110.527 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 29' ' ' ASN . . . . . 0.511 ' HB2' HD12 ' S' ' 27' ' ' LEU . 1.4 m-20 -61.33 -36.71 80.9 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.251 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 30' ' ' GLU . . . . . 0.537 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 29.5 mm-40 -59.36 -41.23 88.77 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.224 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 31' ' ' LEU . . . . . 0.922 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.07 -48.43 78.69 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.414 -0.804 . . . . 0.0 109.156 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 32' ' ' VAL . . . . . 1.045 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.23 -45.84 95.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 109.716 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.3 mt-30 -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 110.316 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 34' ' ' ARG . . . . . 0.945 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.88 -43.91 74.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.936 -1.103 . . . . 0.0 111.107 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 35' ' ' LEU . . . . . 0.922 ' CD1' HD23 ' S' ' 13' ' ' LEU . 25.4 mt -69.38 -47.61 63.74 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.374 -1.454 . . . . 0.0 109.76 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 1.045 HD12 ' O ' ' S' ' 32' ' ' VAL . 5.1 mt -68.13 -42.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 110.281 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tptp -71.05 -46.53 61.81 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.031 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t70 -69.09 -35.73 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.177 -0.952 . . . . 0.0 110.381 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 39' ' ' ASP . . . . . 0.531 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 13.9 t70 -73.31 -30.03 63.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.241 -0.912 . . . . 0.0 110.41 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 40' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -63.45 -48.95 75.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 110.133 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 41' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' S' ' 42' ' ' SER . 0.6 OUTLIER -55.36 166.57 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 42' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' S' ' 41' ' ' GLU . 0.1 OUTLIER 65.83 43.02 3.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.233 -0.917 . . . . 0.0 110.187 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -74.62 -65.12 0.9 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.952 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.374 0.607 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.663 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 6.0 m-85 -50.43 -30.45 12.54 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.791 -0.568 . . . . 0.0 111.471 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.652 ' O ' HG22 ' S' ' 32' ' ' VAL . 1.0 OUTLIER -3.11 -64.38 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 9.6 m -153.19 48.15 0.7 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.019 -1.051 . . . . 0.0 111.415 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.952 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -63.51 170.75 2.94 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 118.071 -1.452 . . . . 0.0 108.187 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.855 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.29 153.29 38.01 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.24 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.486 ' H ' HG12 ' S' ' 10' ' ' VAL . 0.4 OUTLIER -48.57 -27.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.663 -1.273 . . . . 0.0 109.334 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.482 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 3.5 t -66.95 -43.94 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 110.167 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.594 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.27 -44.71 62.41 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.853 -1.154 . . . . 0.0 109.676 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.941 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.4 mp -55.99 -43.77 77.96 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.381 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' S' ' 18' ' ' THR . 4.6 tttt -68.78 -31.29 70.2 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.486 -0.759 . . . . 0.0 109.586 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 2.0 t70 -69.73 -49.92 48.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.937 ' CD1' HD22 ' S' ' 35' ' ' LEU . 0.2 OUTLIER -66.51 -44.17 83.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.775 -1.203 . . . . 0.0 110.248 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.049 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -64.0 -37.99 89.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.987 -1.07 . . . . 0.0 109.556 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 14.0 m -61.54 -44.38 97.15 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.219 -0.926 . . . . 0.0 108.782 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -13.58 59.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.455 -0.778 . . . . 0.0 110.069 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.8 mtt-85 -88.24 8.69 26.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.92 . . . . 0.0 110.239 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.0 OUTLIER 64.25 18.02 11.05 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 1.049 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -147.14 112.01 5.38 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.67 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -82.64 175.0 10.5 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.302 -0.874 . . . . 0.0 112.046 -178.387 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 0.763 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.657 -0.652 . . . . 0.0 110.123 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.513 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.902 0.382 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.32 -40.28 95.59 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.686 -1.259 . . . . 0.0 108.935 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.88 -39.75 82.37 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.919 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -60.77 -47.79 84.74 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 1.05 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.8 OUTLIER -59.18 -44.68 92.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.655 0.74 . . . . 0.0 109.407 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 25.0 mt-30 -66.91 -36.52 82.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.467 -0.771 . . . . 0.0 110.391 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.869 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -65.42 -43.95 88.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.094 . . . . 0.0 109.936 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.941 ' CD1' HD23 ' S' ' 13' ' ' LEU . 42.8 mt -68.76 -48.52 63.51 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.575 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 1.05 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.97 -45.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.494 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -62.41 -43.9 97.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 109.244 179.265 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 21.8 t70 -71.48 -35.64 70.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.711 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.499 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.8 t70 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.498 -0.751 . . . . 0.0 110.461 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 1.025 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.122 0.487 . . . . 0.0 110.656 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.756 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.9 m-85 -49.65 -32.07 12.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.628 -0.67 . . . . 0.0 111.468 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 13.9 t 1.99 -70.08 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 CA-C-O 121.23 0.538 . . . . 0.0 112.117 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.574 ' N ' ' O ' ' S' ' 5' ' ' TYR . 10.4 t -151.92 56.84 0.85 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.213 -0.929 . . . . 0.0 110.68 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 1.025 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -72.0 175.19 6.11 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.73 -1.231 . . . . 0.0 109.371 179.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.635 ' O ' HD12 ' S' ' 13' ' ' LEU . 2.3 m -77.04 142.48 39.85 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.939 HG22 ' HD2' ' S' ' 28' ' ' LYS . 16.0 t -49.01 -36.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.758 -1.214 . . . . 0.0 110.365 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.603 ' H ' HG22 ' S' ' 9' ' ' THR . 0.3 OUTLIER -64.84 -45.9 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.095 . . . . 0.0 110.117 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.92 -34.91 66.89 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.804 -1.185 . . . . 0.0 110.152 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.922 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.34 -39.61 79.94 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 5.0 mtpt -70.46 -30.8 67.72 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.47 -49.8 70.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.874 HD12 HD22 ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.76 -44.73 80.66 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.795 -1.191 . . . . 0.0 109.818 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.117 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -64.1 -37.4 87.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.902 -1.124 . . . . 0.0 109.332 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -61.37 -43.72 98.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.199 -0.938 . . . . 0.0 108.849 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -78.0 -14.16 59.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.563 -0.711 . . . . 0.0 109.84 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 5.1 mtt-85 -87.9 7.87 28.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.321 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.8 OUTLIER 64.93 19.23 11.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 1.117 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -148.94 113.39 5.29 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.709 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.88 174.89 10.0 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.238 -0.914 . . . . 0.0 112.231 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 0.78 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.791 -0.568 . . . . 0.0 110.019 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.939 ' HD2' HG22 ' S' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.384 0.612 . . . . 0.0 109.494 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -63.56 -41.5 98.42 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.72 -1.238 . . . . 0.0 108.637 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -56.67 -36.78 69.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.902 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.93 -47.67 79.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.46 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -59.83 -45.26 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-O 121.63 0.728 . . . . 0.0 109.845 178.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 23.3 mt-30 -67.05 -35.7 80.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.836 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -68.71 -45.21 72.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.895 -1.128 . . . . 0.0 110.749 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.922 ' CD1' HD23 ' S' ' 13' ' ' LEU . 20.7 mt -69.44 -47.22 64.75 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 117.841 -1.544 . . . . 0.0 109.799 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.5 -45.16 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.625 -0.672 . . . . 0.0 111.113 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -69.1 -40.63 78.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.915 -1.115 . . . . 0.0 109.72 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 36.0 t70 -71.58 -42.93 67.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 110.119 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.3 t70 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.317 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.941 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.209 0.528 . . . . 0.0 110.382 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.654 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.3 m-85 -50.03 -29.87 9.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.8 -0.562 . . . . 0.0 111.137 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 9.9 t -6.55 -60.58 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.59 ' N ' ' O ' ' S' ' 5' ' ' TYR . 19.3 m -152.96 49.67 0.73 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.062 -1.055 . . . . 0.0 111.735 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.981 HD12 HD21 ' S' ' 16' ' ' LEU . 0.1 OUTLIER -69.71 169.05 13.64 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 117.894 -1.523 . . . . 0.0 108.424 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.909 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.31 156.61 35.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.62 -28.13 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.629 -1.294 . . . . 0.0 109.602 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.475 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.1 t -67.11 -43.98 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 110.334 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.4 OUTLIER -72.21 -45.04 61.95 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.865 -1.147 . . . . 0.0 109.62 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.929 HD22 ' HB3' ' S' ' 31' ' ' LEU . 1.5 mp -56.02 -43.79 78.09 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.853 -1.139 . . . . 0.0 108.372 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.2 tttt -69.31 -31.36 69.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.453 -0.779 . . . . 0.0 109.897 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 0.3 OUTLIER -70.07 -50.38 41.55 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.988 . . . . 0.0 110.607 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.981 HD21 HD12 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -65.58 -43.94 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.831 -1.168 . . . . 0.0 110.131 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.039 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.05 -39.01 93.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.931 -1.106 . . . . 0.0 109.626 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.7 m -60.94 -43.98 97.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.081 -1.012 . . . . 0.0 108.831 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.05 -13.98 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.192 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.9 mtt-85 -88.46 9.39 23.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.17 -0.956 . . . . 0.0 110.266 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.4 OUTLIER 64.03 18.55 11.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -178.2 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 1.039 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -147.7 112.74 5.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.694 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.11 174.93 10.38 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.384 -0.823 . . . . 0.0 112.125 -178.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 0.782 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.661 -0.649 . . . . 0.0 110.12 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.566 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 3.9 tptp . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.064 0.459 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . 0.487 ' ND2' ' N ' ' S' ' 29' ' ' ASN . 1.6 m120 -64.53 -37.19 86.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.524 -1.36 . . . . 0.0 108.659 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -59.87 -38.23 81.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.929 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -61.39 -48.21 82.26 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 1.052 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.77 -44.61 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 121.554 0.692 . . . . 0.0 109.843 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 77.8 mt-30 -66.08 -35.9 81.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.347 -0.846 . . . . 0.0 110.272 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.861 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -66.43 -43.8 84.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.045 -1.034 . . . . 0.0 110.047 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.941 HD22 ' CD1' ' S' ' 16' ' ' LEU . 38.8 mt -68.55 -48.29 64.67 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 118.308 -1.357 . . . . 0.0 110.38 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 1.052 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.63 -44.52 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.476 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -66.19 -45.05 82.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.012 -1.055 . . . . 0.0 109.587 179.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 30.8 t0 -71.67 -38.65 70.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.541 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 6.2 t70 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.0 110.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 1.049 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.34 0.591 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.84 ' CE1' HD13 ' S' ' 16' ' ' LEU . 13.6 m-85 -49.96 -34.15 19.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 111.284 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.574 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER 4.12 -70.92 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 CA-C-O 121.201 0.524 . . . . 0.0 112.1 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.593 ' N ' ' O ' ' S' ' 5' ' ' TYR . 2.4 t -151.9 55.9 0.84 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.151 -0.968 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 1.049 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.04 177.08 5.93 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.723 -1.236 . . . . 0.0 109.454 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.908 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.4 t -77.77 140.46 39.46 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.592 HG22 ' HD2' ' S' ' 28' ' ' LYS . 9.7 t -48.79 -34.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.687 -1.258 . . . . 0.0 110.739 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.557 HG13 ' N ' ' S' ' 12' ' ' GLN . 4.3 p -64.82 -45.72 94.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 120.937 -1.102 . . . . 0.0 110.416 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.87 ' OE1' HD13 ' S' ' 8' ' ' LEU . 0.0 OUTLIER -73.25 -36.77 66.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.631 -1.293 . . . . 0.0 110.395 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 1.171 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.6 OUTLIER -58.07 -39.65 79.02 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -68.59 -30.49 69.26 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 26.3 t0 -68.18 -49.62 59.7 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.84 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -62.18 -44.03 97.51 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.598 -1.314 . . . . 0.0 109.488 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.065 ' CD1' HG13 ' S' ' 24' ' ' VAL . 8.0 mt -70.11 -33.65 72.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.746 -1.221 . . . . 0.0 110.157 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -59.09 -41.88 89.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -16.56 57.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.703 -0.623 . . . . 0.0 109.358 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.515 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 6.1 ttt180 -86.95 -0.22 56.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.7 OUTLIER 67.82 22.13 8.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.028 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.781 ' O ' HD22 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -149.37 94.29 2.19 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.3 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.062 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -53.0 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.613 -1.304 . . . . 0.0 110.856 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.065 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 110.819 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.592 ' HD2' HG22 ' S' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.934 0.397 . . . . 0.0 111.103 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -62.95 -43.65 98.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.658 -1.276 . . . . 0.0 109.882 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' S' ' 30' ' ' GLU . 11.2 mm-40 -56.31 -38.99 72.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.503 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.89 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.56 -46.84 88.2 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.5 OUTLIER -59.17 -44.25 91.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.622 -0.673 . . . . 0.0 109.331 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.9 OUTLIER -67.86 -37.26 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.481 -0.762 . . . . 0.0 111.153 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.901 ' HG2' HD11 ' S' ' 17' ' ' LEU . 6.9 ttm180 -69.93 -44.65 69.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.847 -1.158 . . . . 0.0 110.867 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 1.171 ' CD1' HD23 ' S' ' 13' ' ' LEU . 11.8 mt -71.52 -46.69 58.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.025 -1.047 . . . . 0.0 110.582 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.502 HD12 HG13 ' S' ' 32' ' ' VAL . 55.4 mt -68.63 -41.27 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.775 . . . . 0.0 110.059 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 47.7 tttm -70.79 -39.2 73.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.212 -0.93 . . . . 0.0 109.684 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 2.6 m-20 -71.64 -47.29 55.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.897 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 1.086 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.158 0.504 . . . . 0.0 110.502 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.811 ' CE1' HD13 ' S' ' 16' ' ' LEU . 13.5 m-85 -51.05 -35.87 36.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.617 -0.677 . . . . 0.0 111.659 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.581 ' C ' ' O ' ' S' ' 5' ' ' TYR . 8.2 m 8.07 -74.97 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.231 0.538 . . . . 0.0 111.836 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.585 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -152.32 55.49 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.259 -0.901 . . . . 0.0 110.713 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 1.086 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.3 OUTLIER -70.51 179.38 2.55 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.472 179.462 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.782 HG22 ' H ' ' S' ' 11' ' ' VAL . 2.2 m -77.48 136.61 38.36 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.27 -28.21 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.723 -1.235 . . . . 0.0 109.901 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.782 ' H ' HG22 ' S' ' 9' ' ' THR . 0.4 OUTLIER -70.1 -46.02 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 109.63 178.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.665 ' OE1' HD23 ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.68 -35.57 67.7 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.813 -1.179 . . . . 0.0 109.588 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 1.118 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.56 -43.69 89.45 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.69 -30.37 70.6 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 177.454 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 6.8 t0 -68.38 -49.98 56.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.492 -0.755 . . . . 0.0 110.596 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -60.64 -43.45 97.55 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.527 -1.358 . . . . 0.0 109.216 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 0.998 HD12 HG12 ' S' ' 24' ' ' VAL . 10.4 mt -70.99 -33.08 70.06 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.863 -1.148 . . . . 0.0 110.375 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.0 -18.84 52.96 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' S' ' 21' ' ' ASN . 9.5 ttt180 -87.08 -6.24 58.76 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.375 -0.828 . . . . 0.0 110.27 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 2.6 t30 69.83 21.67 6.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.944 HD13 ' O ' ' S' ' 22' ' ' LEU . 2.0 tm? -143.41 71.06 1.32 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.55 0.691 . . . . 0.0 109.352 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.538 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.9 OUTLIER -39.2 151.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.22 -0.925 . . . . 0.0 111.818 -178.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 0.998 HG12 HD12 ' S' ' 17' ' ' LEU . 34.5 m . . . . . 0 C--N 1.3 -1.576 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.588 ' HE3' HD13 ' S' ' 13' ' ' LEU . 1.1 tptm . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.71 -30.86 70.47 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' S' ' 34' ' ' ARG . 5.3 mm-40 -65.66 -34.34 77.99 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.936 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -66.49 -48.29 70.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.813 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -62.24 -44.97 99.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-O 121.526 0.679 . . . . 0.0 109.824 179.315 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 40.2 mt-30 -68.0 -41.27 82.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.469 -0.77 . . . . 0.0 110.95 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.808 ' HG2' HD11 ' S' ' 17' ' ' LEU . 2.3 ttm180 -64.59 -45.79 85.45 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.95 -1.094 . . . . 0.0 110.947 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 1.118 ' CD1' HD23 ' S' ' 13' ' ' LEU . 10.4 mt -72.33 -47.62 48.32 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.471 -1.291 . . . . 0.0 111.091 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.813 HD12 ' O ' ' S' ' 32' ' ' VAL . 20.9 mt -70.26 -42.54 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 0.0 110.662 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.6 OUTLIER -70.46 -42.01 72.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.963 -1.086 . . . . 0.0 109.697 179.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 27.2 t0 -71.75 -40.73 69.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.514 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 26.6 t0 . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.251 -0.906 . . . . 0.0 110.417 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.988 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.242 0.544 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.859 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.3 m-85 -49.88 -29.48 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.807 -0.558 . . . . 0.0 111.383 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.4 OUTLIER -5.17 -62.23 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -152.64 50.72 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.003 -1.06 . . . . 0.0 111.66 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.988 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -72.06 166.9 21.32 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 118.034 -1.466 . . . . 0.0 108.346 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.528 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -75.31 153.95 37.61 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.77 -27.61 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 120.873 -1.142 . . . . 0.0 109.397 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 t -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.488 -0.758 . . . . 0.0 110.285 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.612 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.49 -45.57 58.85 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 118.709 -1.196 . . . . 0.0 109.66 -179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' S' ' 31' ' ' LEU . 1.6 mp -56.54 -43.85 80.28 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.468 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.506 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 10.4 tttt -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.406 -0.809 . . . . 0.0 109.24 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -50.34 45.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 110.768 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -61.74 -45.41 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.665 -1.272 . . . . 0.0 109.912 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.049 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.5 mt -68.47 -33.8 74.81 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.212 -0.93 . . . . 0.0 110.206 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -59.45 -43.97 93.07 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -14.69 58.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.662 -0.649 . . . . 0.0 109.876 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.547 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.2 ttt180 -87.38 -0.71 57.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.212 -0.93 . . . . 0.0 110.363 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 13.2 t-20 66.81 22.67 10.21 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.725 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.2 tm? -148.89 86.56 1.51 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.02 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -50.07 -172.43 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.018 -1.051 . . . . 0.0 111.075 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.049 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.597 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.501 ' HE2' ' O ' ' S' ' 8' ' ' LEU . 5.2 tptp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.789 0.328 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.25 -41.71 98.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.633 -1.292 . . . . 0.0 109.826 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.28 -41.0 75.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.367 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.912 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.12 -48.81 79.91 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 121.306 -0.871 . . . . 0.0 108.701 178.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 1.035 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.65 -44.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.534 -0.728 . . . . 0.0 109.407 179.137 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.1 OUTLIER -67.1 -36.12 81.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.366 -0.834 . . . . 0.0 110.77 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.89 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.1 ttm180 -68.16 -43.97 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.771 -1.206 . . . . 0.0 110.948 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.759 ' CD1' HD23 ' S' ' 13' ' ' LEU . 16.6 mt -70.32 -47.81 59.41 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.282 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 1.035 HD12 ' O ' ' S' ' 32' ' ' VAL . 4.5 mt -70.55 -44.2 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.428 -0.795 . . . . 0.0 110.781 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.8 OUTLIER -68.41 -42.84 78.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.939 -1.1 . . . . 0.0 109.639 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 32.7 t70 -71.54 -35.64 70.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.78 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 6.7 t70 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 1.02 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.196 0.522 . . . . 0.0 110.23 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.741 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.4 m-85 -50.05 -32.71 16.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.689 -0.632 . . . . 0.0 111.428 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER 1.28 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-O 121.106 0.479 . . . . 0.0 112.172 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.581 ' N ' ' O ' ' S' ' 5' ' ' TYR . 26.8 t -151.36 53.91 0.85 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -0.981 . . . . 0.0 111.176 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 1.02 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.3 OUTLIER -69.64 175.98 3.84 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.709 -1.244 . . . . 0.0 108.889 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.712 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.2 t -77.33 139.24 39.72 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.552 HG23 ' HG ' ' S' ' 31' ' ' LEU . 3.9 p -48.3 -32.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 120.724 -1.235 . . . . 0.0 110.919 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 3.7 p -66.5 -45.94 87.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.768 -1.208 . . . . 0.0 110.054 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.712 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.23 -33.68 65.47 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.744 -1.223 . . . . 0.0 109.395 179.234 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.927 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.07 -39.51 78.7 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.297 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 13.8 mtpt -70.88 -31.46 68.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.86 -49.76 71.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.156 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.877 HD12 HD22 ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.37 -44.76 82.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.752 -1.218 . . . . 0.0 109.85 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.093 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.44 -37.94 89.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.841 -1.162 . . . . 0.0 109.31 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 21.3 m -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.041 -1.037 . . . . 0.0 108.69 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -78.16 -13.04 60.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.972 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 11.9 ttt-85 -88.2 8.04 29.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.947 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.6 OUTLIER 65.8 19.54 11.35 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -178.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 1.093 HD13 HD13 ' S' ' 17' ' ' LEU . 2.4 tm? -150.96 116.16 5.33 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.71 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -85.13 174.11 9.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.345 -0.847 . . . . 0.0 112.103 -178.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 0.8 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.699 -0.626 . . . . 0.0 110.107 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.28 0.562 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -67.44 -43.75 80.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 109.215 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.22 -37.11 69.25 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.862 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.41 -47.6 81.3 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.469 ' O ' HG13 ' S' ' 36' ' ' ILE 0.258 1.0 OUTLIER -60.71 -45.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.683 0.754 . . . . 0.0 109.731 179.606 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 29.2 mt-30 -67.55 -35.5 79.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.845 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -66.57 -44.99 80.76 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.072 -1.017 . . . . 0.0 110.435 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.927 ' CD1' HD23 ' S' ' 13' ' ' LEU . 25.7 mt -69.64 -47.79 62.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 117.84 -1.544 . . . . 0.0 109.961 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.469 HG13 ' O ' ' S' ' 32' ' ' VAL . 24.5 mt -69.16 -44.61 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 110.88 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -68.46 -40.56 80.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.747 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t0 -71.81 -47.32 54.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 110.363 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.2 t70 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 110.233 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.903 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.43 0.633 . . . . 0.0 110.253 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.771 ' CE1' HD13 ' S' ' 16' ' ' LEU . 7.3 m-85 -50.69 -26.46 5.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.736 -0.603 . . . . 0.0 111.407 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -11.22 -55.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.013 0.435 . . . . 0.0 112.142 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.589 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -154.43 48.8 0.6 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.876 -1.14 . . . . 0.0 111.814 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.903 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -70.86 166.14 21.74 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 117.864 -1.535 . . . . 0.0 108.319 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.842 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.3 156.59 35.43 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 1.1 p -49.74 -28.32 3.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.72 -1.238 . . . . 0.0 109.355 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.422 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.8 t -66.45 -44.49 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 110.319 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.3 -44.92 62.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.89 -1.131 . . . . 0.0 109.795 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.903 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.2 mp -55.93 -43.78 77.73 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.806 -1.158 . . . . 0.0 108.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.734 ' O ' HG23 ' S' ' 18' ' ' THR . 0.0 OUTLIER -68.35 -32.9 73.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -0.797 . . . . 0.0 109.969 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.471 ' O ' ' OG1' ' S' ' 18' ' ' THR . 0.2 OUTLIER -67.19 -50.57 60.48 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.914 -1.116 . . . . 0.0 110.571 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.833 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.4 -44.38 94.84 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.706 -1.246 . . . . 0.0 109.626 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.077 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.4 mt -68.89 -33.78 74.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 110.676 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . 0.734 HG23 ' O ' ' S' ' 14' ' ' LYS . 4.5 p -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.832 -1.167 . . . . 0.0 108.399 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -78.78 -12.13 60.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 109.923 179.058 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.617 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 9.4 mtt-85 -87.08 4.1 43.48 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.236 -0.915 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 69.42 17.94 7.99 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.918 ' CD1' HD22 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -149.95 114.6 5.28 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.006 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -72.12 -167.66 0.33 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.181 -0.95 . . . . 0.0 110.769 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.077 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.721 0.772 . . . . 0.0 111.278 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 1.6 mmmm . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 120.78 0.324 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' S' ' 29' ' ' ASN . 1.5 m120 -65.75 -43.85 87.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.921 -1.112 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -56.31 -36.91 69.21 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.794 -1.162 . . . . 0.0 108.147 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.896 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -67.0 -48.29 68.88 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.424 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 1.049 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.18 -45.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.627 0.727 . . . . 0.0 109.385 179.435 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 27.2 mt-30 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.48 -0.762 . . . . 0.0 110.439 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.941 ' HG2' HD11 ' S' ' 17' ' ' LEU . 2.6 ttm105 -67.18 -43.97 80.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.875 -1.141 . . . . 0.0 110.784 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.903 ' CD1' HD23 ' S' ' 13' ' ' LEU . 22.3 mt -68.95 -47.75 64.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.813 -1.179 . . . . 0.0 110.29 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 1.049 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.5 mt -69.63 -39.43 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.969 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.2 OUTLIER -70.57 -41.26 72.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.979 . . . . 0.0 109.385 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 4.3 m-20 -71.59 -38.19 70.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.479 -0.763 . . . . 0.0 110.007 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 4.0 t70 . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 110.362 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 1.005 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.207 0.527 . . . . 0.0 110.555 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.731 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.9 m-85 -49.12 -29.09 4.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.635 -0.666 . . . . 0.0 111.52 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 43.1 m -3.81 -64.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.063 0.458 . . . . 0.0 112.102 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 45.5 m -153.17 56.17 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.111 -0.993 . . . . 0.0 111.011 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 1.005 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.47 173.38 10.41 Favored 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.409 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.677 ' O ' HD12 ' S' ' 13' ' ' LEU . 2.4 m -76.83 142.95 40.06 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.41 HG13 ' N ' ' S' ' 11' ' ' VAL . 3.8 p -49.0 -37.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 120.724 -1.235 . . . . 0.0 110.523 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.603 ' H ' HG22 ' S' ' 9' ' ' THR . 0.3 OUTLIER -65.1 -45.43 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.939 -1.1 . . . . 0.0 110.112 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.5 -35.23 68.08 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.83 -1.169 . . . . 0.0 110.063 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.923 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.7 -39.36 80.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -69.68 -30.66 68.38 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 6.6 t0 -65.79 -50.18 65.61 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.783 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.52 -45.17 91.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.771 -1.206 . . . . 0.0 109.622 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.059 HD13 ' O ' ' S' ' 23' ' ' SER . 7.0 mt -68.09 -33.76 75.12 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.933 -1.104 . . . . 0.0 110.153 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -59.43 -43.36 93.12 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -14.29 59.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.689 -0.632 . . . . 0.0 109.379 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 8.6 ttt-85 -87.39 0.38 55.56 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.413 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.83 23.3 11.41 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.782 HD13 ' O ' ' S' ' 23' ' ' SER . 3.3 tm? -150.83 91.18 1.69 Allowed 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.059 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -52.53 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.557 -1.34 . . . . 0.0 110.855 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.04 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 110.753 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.567 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.424 0.63 . . . . 0.0 109.49 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -67.29 -43.63 81.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.989 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -55.38 -33.81 63.77 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.068 -1.02 . . . . 0.0 108.528 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.894 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -70.2 -48.55 56.64 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.815 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.57 -45.33 86.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 179.014 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 82.7 mt-30 -67.45 -36.0 80.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.474 -0.766 . . . . 0.0 110.748 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.923 ' HG2' HD11 ' S' ' 17' ' ' LEU . 12.2 ttm180 -68.92 -43.89 74.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.821 -1.175 . . . . 0.0 111.141 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.923 ' CD1' HD23 ' S' ' 13' ' ' LEU . 16.7 mt -70.03 -47.2 63.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 109.892 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.815 HD12 ' O ' ' S' ' 32' ' ' VAL . 21.9 mt -70.09 -42.7 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.841 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.17 -41.06 74.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.939 -1.1 . . . . 0.0 109.694 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 62.0 t0 -71.48 -41.18 69.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 110.021 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.511 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 9.3 t70 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.146 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.971 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 121.253 0.549 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.644 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.8 m-85 -50.85 -32.94 21.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.546 -0.721 . . . . 0.0 111.078 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.568 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER 3.01 -68.79 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.13 0.49 . . . . 0.0 111.887 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.62 ' N ' ' O ' ' S' ' 5' ' ' TYR . 33.5 t -154.47 49.16 0.61 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.132 -0.98 . . . . 0.0 111.328 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.971 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -63.1 172.93 1.59 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.276 -1.515 . . . . 0.0 108.143 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.484 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.2 OUTLIER -74.56 155.11 38.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.827 HG22 ' HD2' ' S' ' 28' ' ' LYS . 5.0 t -51.29 -27.8 6.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.607 -1.308 . . . . 0.0 109.392 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 5.4 t -68.03 -44.93 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.454 -0.779 . . . . 0.0 110.599 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -71.94 -42.54 66.51 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 118.893 -1.123 . . . . 0.0 109.213 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.906 HD11 ' HE3' ' S' ' 28' ' ' LYS . 14.2 mt -56.84 -43.99 81.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 20.6 mmtt -68.65 -32.16 71.8 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.435 -0.79 . . . . 0.0 109.318 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -49.58 62.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.925 HD21 HD12 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -64.58 -44.34 90.98 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.732 -1.23 . . . . 0.0 110.021 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.069 HD13 HD13 ' S' ' 22' ' ' LEU . 0.1 OUTLIER -64.55 -34.77 79.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.916 -1.115 . . . . 0.0 109.606 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 17.6 m -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.149 -0.97 . . . . 0.0 108.492 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -14.42 59.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -88.2 10.96 17.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.264 -0.897 . . . . 0.0 110.275 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' S' ' 20' ' ' ARG . 57.6 m-80 60.29 20.87 10.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 1.069 HD13 HD13 ' S' ' 17' ' ' LEU . 2.8 tm? -148.87 113.18 5.25 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.677 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.4 OUTLIER -83.42 173.77 11.23 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.431 -0.793 . . . . 0.0 112.318 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 0.735 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.684 -0.635 . . . . 0.0 109.865 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.906 ' HE3' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.175 0.512 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -63.77 -39.07 93.36 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.404 -1.435 . . . . 0.0 108.553 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.709 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.15 -47.27 86.97 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.977 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.85 -44.85 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 5.2 mm100 -66.34 -35.95 81.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 110.732 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.85 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -69.18 -44.65 71.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.914 HD22 ' CD1' ' S' ' 16' ' ' LEU . 35.1 mt -70.04 -49.1 54.63 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 118.667 -1.213 . . . . 0.0 111.088 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.977 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.0 mt -69.64 -38.1 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.403 -0.811 . . . . 0.0 110.398 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tttt -69.79 -37.88 76.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.006 -1.059 . . . . 0.0 108.766 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -72.27 -38.66 68.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.514 -0.741 . . . . 0.0 110.368 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.535 ' OD2' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.107 -0.996 . . . . 0.0 110.069 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.968 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.171 0.51 . . . . 0.0 110.378 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.923 ' CE1' HD13 ' S' ' 16' ' ' LEU . 6.9 m-85 -50.37 -24.63 3.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.553 -0.717 . . . . 0.0 110.615 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.542 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER -10.75 -55.1 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.601 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.5 OUTLIER -153.91 44.29 0.57 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.741 -1.224 . . . . 0.0 112.491 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.968 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -77.96 157.55 29.67 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 117.439 -1.704 . . . . 0.0 107.946 177.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.462 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 16.1 p -75.64 162.87 27.88 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 118.781 -1.167 . . . . 0.0 108.01 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' S' ' 13' ' ' LEU . 3.3 m -50.4 -27.2 4.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 120.775 -1.203 . . . . 0.0 109.79 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -46.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.36 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.607 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.9 -44.25 61.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.756 -1.215 . . . . 0.0 108.72 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.982 HD11 ' HE3' ' S' ' 28' ' ' LYS . 9.9 mt -57.09 -40.9 77.9 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 72.8 tttt -69.18 -33.09 72.84 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.644 -0.66 . . . . 0.0 109.455 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -66.86 -50.04 63.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.982 . . . . 0.0 110.011 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.937 HD21 HD12 ' S' ' 8' ' ' LEU . 0.0 OUTLIER -61.75 -45.01 95.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.947 -1.096 . . . . 0.0 109.851 179.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.132 ' CD1' HG13 ' S' ' 24' ' ' VAL . 5.0 mt -68.65 -33.72 74.48 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.946 -1.096 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -59.62 -43.42 93.82 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -78.98 -16.59 56.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.722 -0.611 . . . . 0.0 109.79 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.585 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 3.8 ttt-85 -87.5 -5.77 58.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.308 -0.87 . . . . 0.0 110.335 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 3.8 t30 69.75 22.87 5.9 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.889 HD13 ' O ' ' S' ' 22' ' ' LEU . 2.5 tm? -146.03 80.79 1.58 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.904 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -47.6 -176.85 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.406 -0.808 . . . . 0.0 112.182 -178.325 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.132 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.982 ' HE3' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.166 0.508 . . . . 0.0 110.489 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -63.19 -39.13 93.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.466 -1.396 . . . . 0.0 108.623 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.33 -39.48 72.89 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.738 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.2 OUTLIER -61.13 -47.82 84.48 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.45 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -55.41 -43.21 70.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.659 178.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.9 mm-40 -67.45 -36.43 81.16 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.467 -0.771 . . . . 0.0 110.988 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.809 ' HG2' HD11 ' S' ' 17' ' ' LEU . 7.5 ttm180 -69.86 -44.44 69.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.755 -1.216 . . . . 0.0 111.178 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.778 HD22 HD12 ' S' ' 16' ' ' LEU . 13.7 mt -70.6 -47.85 58.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.004 -1.06 . . . . 0.0 110.684 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.534 ' HA ' ' OD1' ' S' ' 39' ' ' ASP . 39.8 mt -71.16 -39.77 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.478 -0.763 . . . . 0.0 110.667 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -70.3 -37.72 74.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.933 -1.104 . . . . 0.0 109.196 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 20.1 t0 -71.85 -45.05 62.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.435 -0.791 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.534 ' OD1' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 110.309 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.981 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.154 0.502 . . . . 0.0 110.637 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.89 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.4 m-85 -50.3 -29.01 8.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.623 -0.673 . . . . 0.0 111.443 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.576 ' C ' ' O ' ' S' ' 5' ' ' TYR . 1.0 OUTLIER -5.12 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.364 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.595 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -153.77 47.51 0.64 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.995 -1.066 . . . . 0.0 111.826 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.981 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -70.05 163.3 26.47 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 117.783 -1.567 . . . . 0.0 107.956 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.828 ' O ' HD12 ' S' ' 13' ' ' LEU . 3.1 m -75.19 156.48 35.79 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 5.5 p -49.17 -27.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.655 -1.278 . . . . 0.0 109.603 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.81 ' H ' HG22 ' S' ' 9' ' ' THR . 6.8 t -67.21 -44.09 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 0.0 110.247 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.28 -44.95 62.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.875 -1.141 . . . . 0.0 109.498 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.97 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.3 mp -56.22 -43.47 78.6 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.303 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 25.1 tttt -67.79 -32.01 72.29 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.502 -0.749 . . . . 0.0 109.727 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -68.48 -50.36 52.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 0.0 110.351 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.89 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -62.8 -44.94 94.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.814 -1.179 . . . . 0.0 109.928 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.081 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.1 mt -68.19 -34.08 75.61 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.285 -0.884 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -60.01 -45.37 93.0 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -78.97 -14.65 59.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.663 -0.648 . . . . 0.0 110.165 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.562 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 0.2 OUTLIER -87.59 -3.69 58.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.145 -0.972 . . . . 0.0 110.453 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 71.06 20.96 5.04 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.811 HD13 ' O ' ' S' ' 22' ' ' LEU . 1.1 tm? -146.81 86.64 1.66 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.955 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -49.1 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.365 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.081 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.72 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' S' ' 8' ' ' LEU . 5.5 tptm . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 2.1 m-20 -66.87 -41.14 87.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' S' ' 30' ' ' GLU . 3.7 mm-40 -55.93 -37.37 68.85 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.885 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.5 -48.5 72.37 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.318 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.422 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -56.64 -44.02 80.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.233 178.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 56.9 mt-30 -67.33 -38.06 84.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.534 -0.729 . . . . 0.0 110.883 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.897 ' HG2' HD11 ' S' ' 17' ' ' LEU . 3.5 ttm180 -66.75 -44.32 81.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.663 -1.273 . . . . 0.0 110.974 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.97 ' CD1' HD23 ' S' ' 13' ' ' LEU . 14.8 mt -70.01 -48.14 59.29 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.877 -1.139 . . . . 0.0 110.496 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.42 HD12 ' O ' ' S' ' 32' ' ' VAL . 55.4 mt -70.97 -40.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.7 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 11.9 tmtt? -69.32 -41.15 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 109.22 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 13.5 m-20 -71.99 -36.39 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -0.838 . . . . 0.0 110.125 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.478 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 3.2 t0 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 110.61 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 1.08 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.19 0.519 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.943 ' CE1' HD13 ' S' ' 16' ' ' LEU . 15.8 m-85 -50.17 -35.15 25.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.667 -0.646 . . . . 0.0 111.967 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.7 OUTLIER 4.95 -72.09 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.134 0.492 . . . . 0.0 112.076 -179.666 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -150.84 57.75 0.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.176 -0.952 . . . . 0.0 110.851 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 1.08 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -77.87 -177.26 4.84 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.771 -1.205 . . . . 0.0 109.192 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.947 ' O ' HD12 ' S' ' 13' ' ' LEU . 40.1 p -81.48 136.5 35.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.181 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -48.14 -30.52 2.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.327 -1.483 . . . . 0.0 109.876 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -47.15 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.184 -0.948 . . . . 0.0 109.925 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.959 ' OE1' HD21 ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.95 -38.09 66.88 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 1.157 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.1 mp -57.37 -39.65 76.48 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.3 OUTLIER -67.27 -31.09 71.18 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 51.4 t0 -67.93 -49.85 59.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.262 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.959 HD21 ' OE1' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -60.76 -43.91 97.39 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.485 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.046 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.8 mt -70.09 -33.22 71.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.711 -1.243 . . . . 0.0 110.13 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.64 -41.8 86.84 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -17.17 56.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HD3' ' CD2' ' S' ' 17' ' ' LEU . 3.8 ttt85 -86.8 -3.42 59.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.425 -0.797 . . . . 0.0 110.42 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 66.42 23.32 10.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.778 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.3 tm? -147.43 81.22 1.52 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.877 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -45.61 177.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 111.038 -178.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.046 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.833 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.607 ' HE2' HD13 ' S' ' 13' ' ' LEU . 3.6 tptp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.84 0.352 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.42 -43.36 94.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.842 -1.161 . . . . 0.0 110.301 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -56.34 -38.24 71.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.84 -1.163 . . . . 0.0 108.552 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.923 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.19 -47.19 77.82 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.6 OUTLIER -60.28 -44.48 95.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.575 0.703 . . . . 0.0 109.608 179.052 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 7.6 mt-30 -67.66 -42.73 81.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.467 -0.771 . . . . 0.0 111.119 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.803 ' HG2' HD11 ' S' ' 17' ' ' LEU . 6.2 ttm-85 -64.58 -44.48 90.53 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.881 -1.137 . . . . 0.0 111.102 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 1.157 ' CD1' HD23 ' S' ' 13' ' ' LEU . 11.9 mt -70.98 -46.78 61.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.691 -1.256 . . . . 0.0 110.52 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.444 HG13 ' O ' ' S' ' 32' ' ' VAL . 62.7 mt -69.47 -43.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 110.547 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -70.72 -42.85 70.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.055 -1.028 . . . . 0.0 109.96 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 9.9 t0 -71.46 -46.23 60.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 43.5 t0 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.942 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.231 0.539 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.781 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.7 m-85 -49.4 -26.92 3.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.768 -0.583 . . . . 0.0 111.476 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.577 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -5.86 -62.14 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-O 121.074 0.464 . . . . 0.0 112.164 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 3.8 m -153.95 52.46 0.69 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.099 -1.001 . . . . 0.0 111.126 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.942 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -70.82 171.48 10.53 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.558 -1.339 . . . . 0.0 108.776 178.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.697 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.3 t -76.4 140.43 41.35 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.512 HG23 ' HG ' ' S' ' 31' ' ' LEU . 3.2 p -48.04 -33.84 4.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.863 -1.148 . . . . 0.0 111.0 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.543 HG13 ' N ' ' S' ' 12' ' ' GLN . 4.2 p -65.64 -45.57 91.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 120.831 -1.168 . . . . 0.0 110.042 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.697 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -72.69 -34.13 66.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 109.77 179.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.889 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.01 -40.18 80.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.326 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.541 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 14.2 mtmt -67.66 -32.68 73.53 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.512 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 9.4 t0 -65.55 -49.63 68.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 0.0 110.666 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.801 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.65 -44.88 89.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.643 -1.285 . . . . 0.0 109.781 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.061 HD13 ' O ' ' S' ' 23' ' ' SER . 7.5 mt -67.78 -34.63 77.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.894 -1.129 . . . . 0.0 110.013 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -59.89 -43.4 94.8 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -78.58 -13.54 59.78 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.589 -0.694 . . . . 0.0 109.532 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 18.7 ttt85 -87.2 7.93 26.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.376 -0.828 . . . . 0.0 110.265 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 8.9 t-20 64.36 19.42 11.79 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.912 HD13 ' O ' ' S' ' 23' ' ' SER . 2.7 tm? -151.19 123.12 8.13 Favored 'General case' 0 C--O 1.2 -1.503 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.061 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.8 OUTLIER -80.14 -168.1 1.54 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.691 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.053 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.295 -0.878 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.503 ' HE2' ' CA ' ' S' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.748 0.308 . . . . 0.0 111.261 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . 0.512 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.0 OUTLIER -62.34 -34.35 76.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.739 -1.225 . . . . 0.0 109.511 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.99 -38.3 85.77 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.91 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.03 -48.21 74.65 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' S' ' 36' ' ' ILE 0.25 0.8 OUTLIER -59.36 -45.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.314 179.37 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.4 -35.67 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.537 -0.727 . . . . 0.0 110.518 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.938 ' HG2' HD11 ' S' ' 17' ' ' LEU . 5.6 ttm105 -68.32 -43.58 77.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.931 -1.106 . . . . 0.0 110.855 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.889 ' CD1' HD23 ' S' ' 13' ' ' LEU . 21.3 mt -69.13 -47.13 65.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.533 -1.354 . . . . 0.0 109.669 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.471 HG13 ' O ' ' S' ' 32' ' ' VAL . 34.4 mt -68.09 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 110.113 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.91 -44.96 65.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.181 -0.949 . . . . 0.0 109.968 179.233 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 16.8 t70 -68.19 -42.72 79.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.928 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.518 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 8.9 t70 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.36 -0.837 . . . . 0.0 110.221 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.975 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.089 0.471 . . . . 0.0 110.341 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 1.038 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.1 m-85 -49.7 -28.33 5.88 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.618 -0.676 . . . . 0.0 110.75 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.525 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -14.41 -50.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 75.8 m -151.17 43.56 0.78 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.332 -1.347 . . . . 0.0 113.109 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.975 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -83.65 158.77 21.74 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 117.412 -1.715 . . . . 0.0 108.281 177.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 2.5 p -75.47 162.18 28.56 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.292 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.576 ' HA ' HD12 ' S' ' 13' ' ' LEU . 7.7 p -50.75 -27.3 4.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 120.964 -1.085 . . . . 0.0 109.296 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.479 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 14.6 t -67.97 -45.13 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.592 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.9 OUTLIER -71.76 -44.96 63.15 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 118.493 -1.283 . . . . 0.0 109.497 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.791 ' HB3' HD11 ' S' ' 35' ' ' LEU . 3.5 mt -57.46 -43.67 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.567 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 3.0 tppp? -66.3 -33.14 75.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.387 -0.82 . . . . 0.0 109.215 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.493 ' HA ' ' OG1' ' S' ' 18' ' ' THR . 0.1 OUTLIER -70.25 -49.12 53.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.343 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 1.038 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -59.89 -43.88 94.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 118.585 -1.246 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.048 ' CD1' HG13 ' S' ' 24' ' ' VAL . 7.6 mt -71.24 -34.04 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.544 -1.347 . . . . 0.0 110.966 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' S' ' 15' ' ' ASP . 0.7 OUTLIER -59.07 -40.47 85.31 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -79.2 -17.83 54.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.74 -0.6 . . . . 0.0 109.454 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 4.2 ttt180 -87.17 -4.4 59.11 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.86 . . . . 0.0 110.321 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 67.78 22.4 8.86 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.798 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.2 tm? -145.37 82.1 1.64 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.876 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -45.08 176.48 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.218 -0.926 . . . . 0.0 111.247 -178.389 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.048 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.721 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.881 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.576 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 6.7 tptm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.368 0.604 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . 0.412 ' H ' ' ND2' ' S' ' 29' ' ' ASN . 15.7 m-80 -66.09 -43.64 86.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.041 . . . . 0.0 109.775 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.72 -35.99 66.73 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.119 -0.988 . . . . 0.0 108.534 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.928 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -66.23 -47.4 73.93 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.439 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -58.38 -43.94 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.562 0.696 . . . . 0.0 109.239 178.62 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.9 -43.67 78.75 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.462 -0.773 . . . . 0.0 111.402 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.743 ' HG2' HD11 ' S' ' 17' ' ' LEU . 5.5 ttm-85 -63.93 -44.08 93.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.809 -1.182 . . . . 0.0 110.913 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' S' ' 13' ' ' LEU . 12.7 mt -71.41 -47.33 56.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.12 -0.988 . . . . 0.0 110.691 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.439 HG13 ' O ' ' S' ' 32' ' ' VAL . 54.1 mt -69.57 -40.1 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.461 -0.774 . . . . 0.0 109.715 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 15.1 ttmt -70.73 -40.97 72.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 30.9 t0 -70.67 -43.5 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.297 -0.877 . . . . 0.0 109.825 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.7 t70 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.83 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 1.018 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.228 0.537 . . . . 0.0 110.592 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.82 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.8 m-85 -50.32 -29.86 10.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 0.0 111.416 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.8 OUTLIER 0.07 -67.15 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 121.068 0.461 . . . . 0.0 112.013 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.598 ' N ' ' O ' ' S' ' 5' ' ' TYR . 25.2 t -153.66 54.81 0.73 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.928 . . . . 0.0 111.004 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 1.018 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -71.85 177.05 4.46 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.636 -1.29 . . . . 0.0 109.265 179.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.769 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.5 t -81.67 143.91 31.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.77 -34.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.706 -1.246 . . . . 0.0 110.966 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.596 HG13 ' N ' ' S' ' 12' ' ' GLN . 11.3 p -66.66 -45.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.771 -1.206 . . . . 0.0 110.344 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.769 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.22 -34.75 66.09 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.701 -1.25 . . . . 0.0 109.83 179.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.953 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.4 -39.66 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.333 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.675 ' O ' HG23 ' S' ' 18' ' ' THR . 4.3 ttmm -70.12 -30.63 67.87 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' S' ' 18' ' ' THR . 22.5 t0 -65.51 -49.43 69.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.931 . . . . 0.0 110.183 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -64.77 -44.59 89.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.703 -1.248 . . . . 0.0 109.697 179.487 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.059 HD13 ' O ' ' S' ' 23' ' ' SER . 7.6 mt -68.02 -36.64 80.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.943 -1.098 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . 0.675 HG23 ' O ' ' S' ' 14' ' ' LYS . 4.5 p -59.74 -42.09 92.4 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.71 -13.91 59.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.677 -0.639 . . . . 0.0 109.549 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 23.1 ttt85 -87.59 8.25 26.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.42 -0.8 . . . . 0.0 110.372 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.14 20.47 12.0 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.528 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.902 HD13 ' O ' ' S' ' 23' ' ' SER . 2.7 tm? -153.57 123.17 6.71 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.059 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -80.43 -167.89 1.51 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.77 -1.206 . . . . 0.0 110.626 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.045 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 110.354 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 4.6 tptm . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.96 0.41 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -65.37 -42.27 92.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.797 -1.189 . . . . 0.0 110.038 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.36 -37.68 70.38 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.76 -1.176 . . . . 0.0 108.336 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.885 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -64.26 -48.34 76.14 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.479 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.59 -45.79 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.545 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 2.8 mt-30 -67.03 -35.7 80.47 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.529 -0.732 . . . . 0.0 110.52 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.921 ' HG2' HD11 ' S' ' 17' ' ' LEU . 9.6 ttm180 -68.84 -44.0 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.001 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.953 ' CD1' HD23 ' S' ' 13' ' ' LEU . 23.3 mt -69.26 -47.23 65.26 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 118.098 -1.441 . . . . 0.0 109.807 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.479 HG13 ' O ' ' S' ' 32' ' ' VAL . 21.4 mt -68.81 -43.06 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 119.474 -0.89 . . . . 0.0 110.245 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -71.34 -47.17 58.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.012 -1.055 . . . . 0.0 110.24 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 29.3 t0 -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.472 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 9.1 t0 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.258 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.973 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.312 0.577 . . . . 0.0 110.474 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.752 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.0 m-85 -49.38 -27.37 3.98 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.635 -0.666 . . . . 0.0 111.274 -178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.2 -62.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 121.051 0.453 . . . . 0.0 112.124 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.579 ' N ' ' O ' ' S' ' 5' ' ' TYR . 8.7 m -153.31 54.5 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.12 -0.987 . . . . 0.0 111.1 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.973 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -73.03 174.98 7.1 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.657 -1.277 . . . . 0.0 109.043 179.165 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.748 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.2 t -81.6 143.75 31.73 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.411 HG13 ' N ' ' S' ' 11' ' ' VAL . 7.1 p -48.43 -35.78 6.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 120.785 -1.197 . . . . 0.0 111.088 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 2.6 p -66.23 -46.0 88.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 120.845 -1.16 . . . . 0.0 110.302 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.718 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -72.84 -34.8 67.02 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.604 -1.31 . . . . 0.0 109.881 179.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.951 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.57 -40.07 82.07 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.45 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.524 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 1.8 tttt -69.1 -30.99 69.4 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.611 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -65.5 -49.54 68.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 110.268 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.788 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.29 -45.15 89.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.654 -1.279 . . . . 0.0 109.757 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.062 HD13 ' O ' ' S' ' 23' ' ' SER . 7.4 mt -67.65 -34.41 76.9 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.803 -1.186 . . . . 0.0 109.966 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -78.44 -13.77 59.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.653 -0.654 . . . . 0.0 109.376 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 6.1 ttt85 -86.99 7.51 27.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.24 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 64.6 20.31 12.1 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -178.355 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.913 HD13 ' O ' ' S' ' 23' ' ' SER . 2.8 tm? -152.15 122.67 7.33 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.062 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.8 OUTLIER -79.92 -167.49 1.29 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.682 -1.261 . . . . 0.0 110.608 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.038 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.598 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.989 0.423 . . . . 0.0 111.354 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.95 -42.71 94.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.758 -1.213 . . . . 0.0 110.218 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.1 -38.92 71.39 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.418 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.94 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.58 -48.36 77.73 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.564 HG12 ' HG2' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -59.71 -45.63 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 109.822 179.255 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.564 ' HG2' HG12 ' S' ' 32' ' ' VAL . 5.8 mm100 -66.95 -36.76 82.94 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 110.617 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.955 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.02 -43.78 78.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 111.139 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.951 ' CD1' HD23 ' S' ' 13' ' ' LEU . 27.3 mt -68.82 -46.79 67.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.464 -1.397 . . . . 0.0 109.727 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.529 ' HA ' ' OD2' ' S' ' 39' ' ' ASP . 34.6 mt -68.06 -39.49 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.15 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -71.53 -38.57 71.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.89 -1.131 . . . . 0.0 109.766 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.493 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 6.2 t0 -71.45 -43.63 66.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.586 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.05 -1.031 . . . . 0.0 110.129 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.947 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.117 0.484 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 1.036 ' CE1' HD13 ' S' ' 16' ' ' LEU . 8.5 m-85 -50.05 -26.27 4.21 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.516 -0.74 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.514 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -18.23 -46.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.03 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -151.55 40.58 0.68 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.431 -1.418 . . . . 0.0 113.325 -179.283 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.947 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -84.24 155.75 22.32 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 117.266 -1.773 . . . . 0.0 108.203 177.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 16.4 p -75.45 162.38 28.4 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.685 ' HA ' HD12 ' S' ' 13' ' ' LEU . 34.4 m -50.34 -27.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.723 -1.236 . . . . 0.0 109.586 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.458 HG12 ' OE1' ' S' ' 12' ' ' GLN . 17.2 t -66.31 -46.59 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 110.437 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -73.03 -43.99 61.37 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.581 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' S' ' 10' ' ' VAL . 12.0 mt -56.2 -43.15 78.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.506 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 8.6 tttt -69.32 -32.66 71.92 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.441 -0.787 . . . . 0.0 109.518 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -66.79 -50.19 63.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.028 -1.045 . . . . 0.0 109.94 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 1.036 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -61.58 -44.52 96.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.885 -1.134 . . . . 0.0 109.81 179.435 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.058 ' CD1' HG13 ' S' ' 24' ' ' VAL . 8.6 mt -68.9 -33.93 74.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.887 -1.133 . . . . 0.0 110.438 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -59.76 -43.65 94.2 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -15.44 57.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.689 -0.632 . . . . 0.0 110.158 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 1.8 ttt-85 -87.3 -0.01 56.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.14 -0.975 . . . . 0.0 110.664 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.9 t30 69.35 20.73 7.25 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.713 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -147.63 96.22 2.64 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.027 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -54.37 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.699 -1.251 . . . . 0.0 110.756 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.058 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.452 -0.78 . . . . 0.0 110.93 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' S' ' 10' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 120.823 0.344 . . . . 0.0 111.333 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.06 -42.86 96.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.737 -1.227 . . . . 0.0 109.789 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.27 -37.2 69.49 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.339 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.862 HD13 HG11 ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.98 -48.11 77.74 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.822 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.28 -44.13 83.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.448 -0.782 . . . . 0.0 109.341 178.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 46.5 mt-30 -67.18 -44.08 80.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.448 -0.783 . . . . 0.0 111.066 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.893 ' HG2' HD11 ' S' ' 17' ' ' LEU . 4.0 ttm-85 -61.9 -44.59 96.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.931 -1.106 . . . . 0.0 111.289 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.734 HD22 HD12 ' S' ' 16' ' ' LEU . 15.4 mt -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.975 -1.078 . . . . 0.0 111.036 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.822 HD12 ' O ' ' S' ' 32' ' ' VAL . 22.9 mt -70.07 -37.11 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.421 -0.799 . . . . 0.0 110.174 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 8.2 mmmt -70.9 -40.48 72.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.023 -1.048 . . . . 0.0 108.882 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 0.8 OUTLIER -71.69 -37.39 70.71 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.511 -0.743 . . . . 0.0 109.983 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.448 -0.782 . . . . 0.0 110.258 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 1.023 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.214 0.53 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.785 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.7 m-85 -49.52 -29.89 7.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.599 -0.688 . . . . 0.0 111.13 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.575 ' C ' ' O ' ' S' ' 5' ' ' TYR . 3.3 p -0.83 -66.89 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.181 0.515 . . . . 0.0 112.072 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.583 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER -152.47 54.78 0.8 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 110.971 179.49 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 1.023 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -72.02 177.86 4.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.733 -1.229 . . . . 0.0 109.217 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.818 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.5 t -82.03 142.89 31.96 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.5 -34.15 5.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.781 -1.199 . . . . 0.0 110.984 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.616 HG12 ' OG1' ' S' ' 9' ' ' THR . 12.4 p -66.89 -45.98 86.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.748 -1.22 . . . . 0.0 110.378 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.767 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.5 -35.02 65.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.686 -1.259 . . . . 0.0 110.013 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 1.059 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.98 -40.31 84.44 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 177.614 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.726 ' O ' HG23 ' S' ' 18' ' ' THR . 2.2 tttt -69.78 -31.35 69.23 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' S' ' 18' ' ' THR . 46.9 t0 -64.49 -49.44 71.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 110.249 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.16 -44.41 84.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.777 -1.202 . . . . 0.0 109.988 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.076 HD13 HD13 ' S' ' 22' ' ' LEU . 0.1 OUTLIER -66.44 -37.83 86.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.658 -1.276 . . . . 0.0 109.907 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . 0.726 HG23 ' O ' ' S' ' 14' ' ' LYS . 11.6 p -61.37 -42.53 98.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 108.391 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -78.51 -14.59 59.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.592 -0.692 . . . . 0.0 109.956 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 25.6 ttt85 -87.89 8.55 25.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 52.4 t30 66.0 21.84 11.26 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 1.076 HD13 HD13 ' S' ' 17' ' ' LEU . 2.4 tm? -153.79 114.43 4.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 0.648 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.4 OUTLIER -81.34 171.66 14.52 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.259 -0.901 . . . . 0.0 111.743 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 0.796 ' CB ' HD13 ' S' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.391 -0.818 . . . . 0.0 111.619 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.633 ' HZ1' HD13 ' S' ' 13' ' ' LEU . 3.0 tptp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -63.75 -41.08 98.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.685 -1.259 . . . . 0.0 109.812 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.41 -38.03 70.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.696 -1.253 . . . . 0.0 108.247 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.896 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.3 OUTLIER -65.71 -47.71 74.45 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.796 0.808 . . . . 0.0 109.727 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 0.47 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.216 179.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 44.7 mt-30 -67.64 -39.37 84.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.302 -0.874 . . . . 0.0 110.622 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.763 ' CG ' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -65.34 -45.34 84.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.939 -1.1 . . . . 0.0 110.605 -179.289 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 1.059 ' CD1' HD23 ' S' ' 13' ' ' LEU . 43.6 mt -69.46 -46.99 65.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.911 -1.516 . . . . 0.0 110.437 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.464 HG13 ' O ' ' S' ' 32' ' ' VAL . 48.7 mt -69.5 -42.93 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 110.796 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 1.6 mtpm? -70.07 -41.45 74.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.912 -1.118 . . . . 0.0 109.613 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 34.7 t70 -71.94 -41.92 67.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.488 -0.758 . . . . 0.0 110.295 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.534 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 15.1 t0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.306 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 4' ' ' ASP . . . . . 0.969 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.296 0.57 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 5' ' ' TYR . . . . . 0.883 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.6 m-85 -49.97 -28.4 6.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.763 -0.585 . . . . 0.0 111.837 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 6' ' ' SER . . . . . 0.567 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.83 -61.49 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 95.3 p -153.51 55.73 0.75 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.97 -1.082 . . . . 0.0 111.352 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 8' ' ' LEU . . . . . 0.969 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.19 177.28 5.89 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.593 -1.317 . . . . 0.0 109.237 179.068 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 9' ' ' THR . . . . . 0.777 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.7 t -82.49 146.35 29.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.992 -1.068 . . . . 0.0 108.335 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 10' ' ' VAL . . . . . 0.421 HG13 ' N ' ' S' ' 11' ' ' VAL . 4.3 p -48.93 -37.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 120.786 -1.197 . . . . 0.0 111.119 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 11' ' ' VAL . . . . . 0.589 HG13 ' N ' ' S' ' 12' ' ' GLN . 10.7 p -65.52 -46.2 90.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.818 -1.176 . . . . 0.0 110.645 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 12' ' ' GLN . . . . . 0.777 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.06 -35.04 66.62 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.717 -1.24 . . . . 0.0 110.09 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 13' ' ' LEU . . . . . 0.922 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.64 -39.5 80.72 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.483 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 14' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.7 tttt -69.96 -30.77 68.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.8 -49.71 69.6 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.203 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 16' ' ' LEU . . . . . 0.883 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -65.49 -45.24 84.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.767 -1.208 . . . . 0.0 109.914 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 17' ' ' LEU . . . . . 1.068 HD13 ' O ' ' S' ' 23' ' ' SER . 7.4 mt -67.54 -34.66 77.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.109 . . . . 0.0 110.076 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 13.7 m -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -13.82 59.65 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 120.204 -0.599 . . . . 0.0 109.424 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 20' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 12.1 ttt-85 -87.4 7.76 27.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.392 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 21' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t30 64.7 18.66 11.53 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 22' ' ' LEU . . . . . 0.92 HD13 ' O ' ' S' ' 23' ' ' SER . 2.8 tm? -150.18 120.14 7.16 Favored 'General case' 0 C--O 1.201 -1.469 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 23' ' ' SER . . . . . 1.068 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -77.78 -166.98 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.733 -1.229 . . . . 0.0 110.567 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 24' ' ' VAL . . . . . 1.05 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 110.413 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.551 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 5.8 tptp . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 29' ' ' ASN . . . . . 0.503 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.4 m-20 -61.33 -36.71 80.9 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.251 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 30' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.36 -41.23 88.77 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.224 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 31' ' ' LEU . . . . . 0.922 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.07 -48.43 78.69 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.414 -0.804 . . . . 0.0 109.156 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 32' ' ' VAL . . . . . 1.045 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.23 -45.84 95.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 109.716 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.3 mt-30 -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 110.316 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 34' ' ' ARG . . . . . 0.945 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.88 -43.91 74.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.936 -1.103 . . . . 0.0 111.107 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 35' ' ' LEU . . . . . 0.922 ' CD1' HD23 ' S' ' 13' ' ' LEU . 25.4 mt -69.38 -47.61 63.74 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.374 -1.454 . . . . 0.0 109.76 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 1.045 HD12 ' O ' ' S' ' 32' ' ' VAL . 5.1 mt -68.13 -42.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 110.281 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tptp -71.05 -46.53 61.81 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.031 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t70 -69.09 -35.73 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.177 -0.952 . . . . 0.0 110.381 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 39' ' ' ASP . . . . . 0.531 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 13.9 t70 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.241 -0.912 . . . . 0.0 110.41 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' S' ' 3' ' ' ALA . 1.1 p -151.48 -52.25 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.22 -1.165 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . 0.439 ' N ' ' OG ' ' S' ' 2' ' ' SER . . . 49.26 -178.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.925 . . . . 0.0 110.183 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.952 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.5 OUTLIER -121.11 -95.69 0.48 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.276 -0.89 . . . . 0.0 110.518 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.663 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 6.0 m-85 -50.43 -30.45 12.54 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.791 -0.568 . . . . 0.0 111.471 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.652 ' O ' HG22 ' S' ' 32' ' ' VAL . 1.0 OUTLIER -3.11 -64.38 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 9.6 m -153.19 48.15 0.7 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.019 -1.051 . . . . 0.0 111.415 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.952 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -63.51 170.75 2.94 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 118.071 -1.452 . . . . 0.0 108.187 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.855 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.29 153.29 38.01 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.24 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.486 ' H ' HG12 ' S' ' 10' ' ' VAL . 0.4 OUTLIER -48.57 -27.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 O-C-N 120.663 -1.273 . . . . 0.0 109.334 -178.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.482 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 3.5 t -66.95 -43.94 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 0.0 110.167 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.594 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.27 -44.71 62.41 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.853 -1.154 . . . . 0.0 109.676 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.941 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.4 mp -55.99 -43.77 77.96 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.381 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' S' ' 18' ' ' THR . 4.6 tttt -68.78 -31.29 70.2 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.486 -0.759 . . . . 0.0 109.586 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 2.0 t70 -69.73 -49.92 48.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.154 -0.966 . . . . 0.0 110.763 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.937 ' CD1' HD22 ' S' ' 35' ' ' LEU . 0.2 OUTLIER -66.51 -44.17 83.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.775 -1.203 . . . . 0.0 110.248 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.049 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -64.0 -37.99 89.46 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.987 -1.07 . . . . 0.0 109.556 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' S' ' 14' ' ' LYS . 14.0 m -61.54 -44.38 97.15 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.219 -0.926 . . . . 0.0 108.782 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -13.58 59.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.455 -0.778 . . . . 0.0 110.069 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.8 mtt-85 -88.24 8.69 26.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.229 -0.92 . . . . 0.0 110.239 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.0 OUTLIER 64.25 18.02 11.05 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 1.049 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -147.14 112.01 5.38 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.67 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -82.64 175.0 10.5 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.302 -0.874 . . . . 0.0 112.046 -178.387 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 0.763 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.0 OUTLIER -110.92 112.0 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.657 -0.652 . . . . 0.0 110.123 179.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.52 116.48 5.22 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' S' ' 30' ' ' GLU . . . 140.75 175.86 14.91 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 121.137 -1.214 . . . . 0.0 110.283 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.591 HD12 ' OD1' ' S' ' 29' ' ' ASN . 0.4 OUTLIER -66.0 179.83 0.85 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.431 -1.041 . . . . 0.0 110.623 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.513 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -51.72 -46.97 64.16 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.277 -0.889 . . . . 0.0 110.368 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.591 ' OD1' HD12 ' S' ' 27' ' ' LEU . 3.4 m120 -64.32 -40.28 95.59 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.686 -1.259 . . . . 0.0 108.935 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.554 ' HG3' ' CD2' ' S' ' 27' ' ' LEU . 16.9 mm-40 -58.88 -39.75 82.37 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.919 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -60.77 -47.79 84.74 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 1.05 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.8 OUTLIER -59.18 -44.68 92.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.655 0.74 . . . . 0.0 109.407 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 25.0 mt-30 -66.91 -36.52 82.45 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.467 -0.771 . . . . 0.0 110.391 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.869 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -65.42 -43.95 88.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.95 -1.094 . . . . 0.0 109.936 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.941 ' CD1' HD23 ' S' ' 13' ' ' LEU . 42.8 mt -68.76 -48.52 63.51 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.575 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 1.05 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.97 -45.17 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.494 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -62.41 -43.9 97.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 109.244 179.265 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 21.8 t70 -71.48 -35.64 70.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.711 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.499 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.8 t70 -72.63 -44.2 62.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.498 -0.751 . . . . 0.0 110.461 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -62.39 -43.42 98.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.056 -1.027 . . . . 0.0 110.224 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.08 -60.92 2.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 110.242 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 102.03 0.71 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.272 -0.893 . . . . 0.0 110.283 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -178.74 105.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.258 -0.901 . . . . 0.0 110.239 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -116.21 -34.82 4.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.332 -1.099 . . . . 0.0 110.166 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.3 98.07 3.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.286 -0.884 . . . . 0.0 110.078 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 1.025 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -128.84 -95.46 0.41 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.306 -0.871 . . . . 0.0 110.656 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.756 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.9 m-85 -49.65 -32.07 12.29 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.628 -0.67 . . . . 0.0 111.468 -178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.573 ' C ' ' O ' ' S' ' 5' ' ' TYR . 13.9 t 1.99 -70.08 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.352 0 CA-C-O 121.23 0.538 . . . . 0.0 112.117 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.574 ' N ' ' O ' ' S' ' 5' ' ' TYR . 10.4 t -151.92 56.84 0.85 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.213 -0.929 . . . . 0.0 110.68 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 1.025 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -72.0 175.19 6.11 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.73 -1.231 . . . . 0.0 109.371 179.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.635 ' O ' HD12 ' S' ' 13' ' ' LEU . 2.3 m -77.04 142.48 39.85 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.939 HG22 ' HD2' ' S' ' 28' ' ' LYS . 16.0 t -49.01 -36.91 8.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 120.758 -1.214 . . . . 0.0 110.365 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.603 ' H ' HG22 ' S' ' 9' ' ' THR . 0.3 OUTLIER -64.84 -45.9 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.095 . . . . 0.0 110.117 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.92 -34.91 66.89 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 120.804 -1.185 . . . . 0.0 110.152 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.922 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.34 -39.61 79.94 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 5.0 mtpt -70.46 -30.8 67.72 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -64.47 -49.8 70.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 0.0 110.272 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.874 HD12 HD22 ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.76 -44.73 80.66 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.795 -1.191 . . . . 0.0 109.818 179.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.117 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -64.1 -37.4 87.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.902 -1.124 . . . . 0.0 109.332 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -61.37 -43.72 98.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.199 -0.938 . . . . 0.0 108.849 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -78.0 -14.16 59.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.563 -0.711 . . . . 0.0 109.84 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 5.1 mtt-85 -87.9 7.87 28.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.303 -0.873 . . . . 0.0 110.321 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.8 OUTLIER 64.93 19.23 11.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 1.117 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -148.94 113.39 5.29 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.709 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.88 174.89 10.0 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.238 -0.914 . . . . 0.0 112.231 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 0.78 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -112.15 99.12 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.791 -0.568 . . . . 0.0 110.019 179.655 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.37 128.61 9.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.528 ' HA3' ' CB ' ' S' ' 30' ' ' GLU . . . 135.16 -170.88 22.73 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.796 HD23 ' N ' ' S' ' 27' ' ' LEU . 0.8 OUTLIER -78.71 179.45 7.16 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.395 -1.062 . . . . 0.0 109.867 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.939 ' HD2' HG22 ' S' ' 10' ' ' VAL . 0.0 OUTLIER -51.7 -43.55 62.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.086 -1.009 . . . . 0.0 109.494 179.523 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -63.56 -41.5 98.42 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.72 -1.238 . . . . 0.0 108.637 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.533 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 70.1 mm-40 -56.67 -36.78 69.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.902 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.93 -47.67 79.56 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.46 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -59.83 -45.26 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-O 121.63 0.728 . . . . 0.0 109.845 178.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 23.3 mt-30 -67.05 -35.7 80.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.836 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -68.71 -45.21 72.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.895 -1.128 . . . . 0.0 110.749 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.922 ' CD1' HD23 ' S' ' 13' ' ' LEU . 20.7 mt -69.44 -47.22 64.75 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 117.841 -1.544 . . . . 0.0 109.799 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 61.1 mt -70.5 -45.16 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.625 -0.672 . . . . 0.0 111.113 -178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -69.1 -40.63 78.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.915 -1.115 . . . . 0.0 109.72 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 36.0 t70 -71.58 -42.93 67.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 110.119 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 2.3 t70 -71.37 -31.46 67.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.317 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -56.22 -34.12 66.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.925 . . . . 0.0 110.336 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' S' ' 40' ' ' GLU . 34.3 tt0 42.69 73.97 0.12 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.938 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -71.05 63.42 0.32 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.918 . . . . 0.0 110.361 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.97 151.39 30.24 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 110.199 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' S' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' S' ' 1' ' ' GLY . 0.4 OUTLIER 64.95 179.71 0.18 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.218 -1.166 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.71 122.45 16.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.398 -0.814 . . . . 0.0 110.208 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.941 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.6 OUTLIER -128.35 -95.38 0.42 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.654 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.3 m-85 -50.03 -29.87 9.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.8 -0.562 . . . . 0.0 111.137 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 9.9 t -6.55 -60.58 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.59 ' N ' ' O ' ' S' ' 5' ' ' TYR . 19.3 m -152.96 49.67 0.73 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.062 -1.055 . . . . 0.0 111.735 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.981 HD12 HD21 ' S' ' 16' ' ' LEU . 0.1 OUTLIER -69.71 169.05 13.64 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 117.894 -1.523 . . . . 0.0 108.424 178.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.909 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.31 156.61 35.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.62 -28.13 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.629 -1.294 . . . . 0.0 109.602 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.475 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.1 t -67.11 -43.98 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.392 -0.818 . . . . 0.0 110.334 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.4 OUTLIER -72.21 -45.04 61.95 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.865 -1.147 . . . . 0.0 109.62 -179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.929 HD22 ' HB3' ' S' ' 31' ' ' LEU . 1.5 mp -56.02 -43.79 78.09 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.853 -1.139 . . . . 0.0 108.372 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.2 tttt -69.31 -31.36 69.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.453 -0.779 . . . . 0.0 109.897 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' S' ' 11' ' ' VAL . 0.3 OUTLIER -70.07 -50.38 41.55 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.988 . . . . 0.0 110.607 -179.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.981 HD21 HD12 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -65.58 -43.94 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.831 -1.168 . . . . 0.0 110.131 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.039 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.05 -39.01 93.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.931 -1.106 . . . . 0.0 109.626 179.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.7 m -60.94 -43.98 97.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.081 -1.012 . . . . 0.0 108.831 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -78.05 -13.98 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.42 -0.8 . . . . 0.0 110.192 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.9 mtt-85 -88.46 9.39 23.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.17 -0.956 . . . . 0.0 110.266 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.4 OUTLIER 64.03 18.55 11.29 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -178.2 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 1.039 HD13 HD13 ' S' ' 17' ' ' LEU . 2.7 tm? -147.7 112.74 5.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.694 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -83.11 174.93 10.38 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.384 -0.823 . . . . 0.0 112.125 -178.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 0.782 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -111.23 106.93 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.661 -0.649 . . . . 0.0 110.12 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.99 115.95 5.33 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.487 ' HA3' ' HB3' ' S' ' 30' ' ' GLU . . . 143.96 176.99 18.48 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.575 ' H ' HD23 ' S' ' 27' ' ' LEU . 0.4 OUTLIER -66.7 179.14 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.465 -1.021 . . . . 0.0 110.683 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.566 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 3.9 tptp -52.06 -47.66 65.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.297 -0.877 . . . . 0.0 110.88 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.487 ' ND2' ' N ' ' S' ' 29' ' ' ASN . 1.6 m120 -64.53 -37.19 86.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.524 -1.36 . . . . 0.0 108.659 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.537 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 27.6 mm-40 -59.87 -38.23 81.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.929 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -61.39 -48.21 82.26 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 1.052 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.77 -44.61 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 121.554 0.692 . . . . 0.0 109.843 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 77.8 mt-30 -66.08 -35.9 81.75 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.347 -0.846 . . . . 0.0 110.272 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.861 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -66.43 -43.8 84.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.045 -1.034 . . . . 0.0 110.047 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.941 HD22 ' CD1' ' S' ' 16' ' ' LEU . 38.8 mt -68.55 -48.29 64.67 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 118.308 -1.357 . . . . 0.0 110.38 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 1.052 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.4 mt -70.63 -44.52 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.476 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -66.19 -45.05 82.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.012 -1.055 . . . . 0.0 109.587 179.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 30.8 t0 -71.67 -38.65 70.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.541 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 6.2 t70 -64.88 -27.81 69.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.919 . . . . 0.0 110.131 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' S' ' 41' ' ' GLU . 3.8 tp10 -73.49 -30.15 62.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.212 -0.93 . . . . 0.0 110.193 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER 65.31 96.68 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.917 . . . . 0.0 110.094 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.46 -21.12 5.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.0 110.548 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -105.13 -20.49 13.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.11 -0.993 . . . . 0.0 110.257 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' S' ' 3' ' ' ALA . 3.1 t -156.29 122.8 5.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.313 -1.11 . . . . 0.0 110.265 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' S' ' 2' ' ' SER . . . 57.39 95.17 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.289 -0.882 . . . . 0.0 110.237 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 1.049 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER -124.6 -94.87 0.47 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.212 -0.93 . . . . 0.0 110.351 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.84 ' CE1' HD13 ' S' ' 16' ' ' LEU . 13.6 m-85 -49.96 -34.15 19.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 111.284 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.574 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER 4.12 -70.92 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 CA-C-O 121.201 0.524 . . . . 0.0 112.1 -179.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.593 ' N ' ' O ' ' S' ' 5' ' ' TYR . 2.4 t -151.9 55.9 0.84 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.151 -0.968 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 1.049 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.04 177.08 5.93 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.723 -1.236 . . . . 0.0 109.454 179.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.908 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.4 t -77.77 140.46 39.46 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.592 HG22 ' HD2' ' S' ' 28' ' ' LYS . 9.7 t -48.79 -34.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.687 -1.258 . . . . 0.0 110.739 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.557 HG13 ' N ' ' S' ' 12' ' ' GLN . 4.3 p -64.82 -45.72 94.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 120.937 -1.102 . . . . 0.0 110.416 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.87 ' OE1' HD13 ' S' ' 8' ' ' LEU . 0.0 OUTLIER -73.25 -36.77 66.44 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.631 -1.293 . . . . 0.0 110.395 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 1.171 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.6 OUTLIER -58.07 -39.65 79.02 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.0 OUTLIER -68.59 -30.49 69.26 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 26.3 t0 -68.18 -49.62 59.7 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.84 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -62.18 -44.03 97.51 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.598 -1.314 . . . . 0.0 109.488 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.065 ' CD1' HG13 ' S' ' 24' ' ' VAL . 8.0 mt -70.11 -33.65 72.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.746 -1.221 . . . . 0.0 110.157 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -59.09 -41.88 89.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -16.56 57.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.703 -0.623 . . . . 0.0 109.358 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.515 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 6.1 ttt180 -86.95 -0.22 56.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.7 OUTLIER 67.82 22.13 8.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.028 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.781 ' O ' HD22 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -149.37 94.29 2.19 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.3 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.062 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -53.0 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.613 -1.304 . . . . 0.0 110.856 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.065 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -111.64 155.79 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 110.819 -179.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -37.94 -97.05 0.01 OUTLIER Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.401 ' H ' ' CB ' ' S' ' 30' ' ' GLU . . . -156.68 -85.31 0.05 OUTLIER Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.563 HD11 ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.23 166.38 4.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.126 -1.22 . . . . 0.0 110.658 -179.287 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.592 ' HD2' HG22 ' S' ' 10' ' ' VAL . 0.0 OUTLIER -51.71 -46.99 64.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.325 -0.859 . . . . 0.0 111.103 -179.142 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.445 ' HB2' HD12 ' S' ' 27' ' ' LEU . 5.5 m120 -62.95 -43.65 98.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.658 -1.276 . . . . 0.0 109.882 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.563 ' HG2' HD11 ' S' ' 27' ' ' LEU . 11.2 mm-40 -56.31 -38.99 72.04 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.503 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.89 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.56 -46.84 88.2 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.5 OUTLIER -59.17 -44.25 91.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.622 -0.673 . . . . 0.0 109.331 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.9 OUTLIER -67.86 -37.26 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.481 -0.762 . . . . 0.0 111.153 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.901 ' HG2' HD11 ' S' ' 17' ' ' LEU . 6.9 ttm180 -69.93 -44.65 69.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.847 -1.158 . . . . 0.0 110.867 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 1.171 ' CD1' HD23 ' S' ' 13' ' ' LEU . 11.8 mt -71.52 -46.69 58.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.025 -1.047 . . . . 0.0 110.582 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.502 HD12 HG13 ' S' ' 32' ' ' VAL . 55.4 mt -68.63 -41.27 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.775 . . . . 0.0 110.059 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 47.7 tttm -70.79 -39.2 73.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.212 -0.93 . . . . 0.0 109.684 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 2.6 m-20 -71.64 -47.29 55.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.364 -0.835 . . . . 0.0 110.116 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.5 OUTLIER -66.86 -27.51 67.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -73.26 -34.89 66.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.04 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -89.5 -9.89 48.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.142 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -98.57 78.2 2.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 0.0 110.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.37 -69.99 0.14 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.273 -0.892 . . . . 0.0 110.151 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' S' ' 3' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' S' ' 3' ' ' ALA . 19.4 m 52.76 -88.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -1.158 . . . . 0.0 110.076 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' S' ' 2' ' ' SER . . . 59.74 13.23 3.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.443 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 1.086 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.8 OUTLIER -124.28 -95.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.129 -0.982 . . . . 0.0 110.502 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.811 ' CE1' HD13 ' S' ' 16' ' ' LEU . 13.5 m-85 -51.05 -35.87 36.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.617 -0.677 . . . . 0.0 111.659 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.581 ' C ' ' O ' ' S' ' 5' ' ' TYR . 8.2 m 8.07 -74.97 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.323 0 CA-C-O 121.231 0.538 . . . . 0.0 111.836 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.585 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -152.32 55.49 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.259 -0.901 . . . . 0.0 110.713 179.36 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 1.086 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.3 OUTLIER -70.51 179.38 2.55 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 118.881 -1.128 . . . . 0.0 109.472 179.462 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.782 HG22 ' H ' ' S' ' 11' ' ' VAL . 2.2 m -77.48 136.61 38.36 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 p -48.27 -28.21 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.723 -1.235 . . . . 0.0 109.901 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.782 ' H ' HG22 ' S' ' 9' ' ' THR . 0.4 OUTLIER -70.1 -46.02 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.132 -0.98 . . . . 0.0 109.63 178.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.665 ' OE1' HD23 ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.68 -35.57 67.7 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.813 -1.179 . . . . 0.0 109.588 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 1.118 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.56 -43.69 89.45 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' S' ' 24' ' ' VAL . 0.0 OUTLIER -66.69 -30.37 70.6 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 177.454 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 6.8 t0 -68.38 -49.98 56.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.492 -0.755 . . . . 0.0 110.596 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -60.64 -43.45 97.55 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 120.527 -1.358 . . . . 0.0 109.216 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 0.998 HD12 HG12 ' S' ' 24' ' ' VAL . 10.4 mt -70.99 -33.08 70.06 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 120.863 -1.148 . . . . 0.0 110.375 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.0 m -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.0 -18.84 52.96 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' S' ' 21' ' ' ASN . 9.5 ttt180 -87.08 -6.24 58.76 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.375 -0.828 . . . . 0.0 110.27 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 2.6 t30 69.83 21.67 6.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.944 HD13 ' O ' ' S' ' 22' ' ' LEU . 2.0 tm? -143.41 71.06 1.32 Allowed 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.55 0.691 . . . . 0.0 109.352 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.538 ' O ' ' HD3' ' S' ' 34' ' ' ARG . 0.9 OUTLIER -39.2 151.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.22 -0.925 . . . . 0.0 111.818 -178.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 0.998 HG12 HD12 ' S' ' 17' ' ' LEU . 34.5 m -70.43 158.64 6.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.289 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.519 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -57.53 -127.75 0.01 OUTLIER Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -124.31 -65.87 0.2 Allowed Glycine 0 N--CA 1.492 2.431 0 O-C-N 120.736 -1.45 . . . . 0.0 110.273 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.596 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 1.7 mm? -61.87 156.92 19.51 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.138 -1.213 . . . . 0.0 110.952 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.588 ' HE3' HD13 ' S' ' 13' ' ' LEU . 1.1 tptm -57.58 -39.03 75.87 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.71 -30.86 70.47 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' S' ' 27' ' ' LEU . 5.3 mm-40 -65.66 -34.34 77.99 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.936 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -66.49 -48.29 70.31 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.813 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -62.24 -44.97 99.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 CA-C-O 121.526 0.679 . . . . 0.0 109.824 179.315 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 40.2 mt-30 -68.0 -41.27 82.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.469 -0.77 . . . . 0.0 110.95 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.808 ' HG2' HD11 ' S' ' 17' ' ' LEU . 2.3 ttm180 -64.59 -45.79 85.45 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.95 -1.094 . . . . 0.0 110.947 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 1.118 ' CD1' HD23 ' S' ' 13' ' ' LEU . 10.4 mt -72.33 -47.62 48.32 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 118.471 -1.291 . . . . 0.0 111.091 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.813 HD12 ' O ' ' S' ' 32' ' ' VAL . 20.9 mt -70.26 -42.54 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 0.0 110.662 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.6 OUTLIER -70.46 -42.01 72.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.963 -1.086 . . . . 0.0 109.697 179.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 27.2 t0 -71.75 -40.73 69.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.514 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 26.6 t0 -73.42 -40.94 63.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.251 -0.906 . . . . 0.0 110.417 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.7 OUTLIER -55.49 -33.94 64.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.954 . . . . 0.0 110.155 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.31 -171.91 1.99 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.199 -0.938 . . . . 0.0 110.158 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.16 45.51 2.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.43 111.09 21.69 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.205 -0.934 . . . . 0.0 110.238 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . 0.666 ' O ' ' HB2' ' S' ' 3' ' ' ALA . 0.8 OUTLIER -167.96 -58.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 0.0 110.103 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' S' ' 2' ' ' SER . . . 172.46 159.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.954 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.988 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER -118.02 -94.97 0.49 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.36 -0.838 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.859 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.3 m-85 -49.88 -29.48 8.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.807 -0.558 . . . . 0.0 111.383 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.575 ' OG ' ' HB1' ' S' ' 3' ' ' ALA . 0.4 OUTLIER -5.17 -62.23 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.588 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -152.64 50.72 0.75 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.003 -1.06 . . . . 0.0 111.66 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.988 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -72.06 166.9 21.32 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 118.034 -1.466 . . . . 0.0 108.346 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.528 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -75.31 153.95 37.61 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.77 -27.61 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 120.873 -1.142 . . . . 0.0 109.397 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 t -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.488 -0.758 . . . . 0.0 110.285 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.612 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.49 -45.57 58.85 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 118.709 -1.196 . . . . 0.0 109.66 -179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' S' ' 31' ' ' LEU . 1.6 mp -56.54 -43.85 80.28 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.468 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.506 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 10.4 tttt -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.406 -0.809 . . . . 0.0 109.24 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -50.34 45.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 110.768 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -61.74 -45.41 94.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.665 -1.272 . . . . 0.0 109.912 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.049 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.5 mt -68.47 -33.8 74.81 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.212 -0.93 . . . . 0.0 110.206 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -59.45 -43.97 93.07 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -14.69 58.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.662 -0.649 . . . . 0.0 109.876 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.547 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 3.2 ttt180 -87.38 -0.71 57.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.212 -0.93 . . . . 0.0 110.363 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 13.2 t-20 66.81 22.67 10.21 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.725 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.2 tm? -148.89 86.56 1.51 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.02 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -50.07 -172.43 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.018 -1.051 . . . . 0.0 111.075 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.049 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.28 158.57 10.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.597 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -44.73 -108.27 0.01 OUTLIER Glycine 0 N--CA 1.498 2.787 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.03 -82.79 0.06 OUTLIER Glycine 0 N--CA 1.492 2.389 0 O-C-N 121.103 -1.234 . . . . 0.0 110.242 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.541 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.41 164.41 7.34 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.052 -1.263 . . . . 0.0 110.507 -179.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.501 ' HE2' ' O ' ' S' ' 8' ' ' LEU . 5.2 tptp -52.14 -47.24 65.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.444 -0.785 . . . . 0.0 111.096 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.432 ' HB2' HD12 ' S' ' 27' ' ' LEU . 14.0 m120 -62.25 -41.71 98.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.633 -1.292 . . . . 0.0 109.826 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.541 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 5.6 mm-40 -56.28 -41.0 75.18 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.913 -1.117 . . . . 0.0 108.367 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.912 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.12 -48.81 79.91 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 121.306 -0.871 . . . . 0.0 108.701 178.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 1.035 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.65 -44.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.534 -0.728 . . . . 0.0 109.407 179.137 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.1 OUTLIER -67.1 -36.12 81.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.366 -0.834 . . . . 0.0 110.77 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.89 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.1 ttm180 -68.16 -43.97 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.771 -1.206 . . . . 0.0 110.948 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.759 ' CD1' HD23 ' S' ' 13' ' ' LEU . 16.6 mt -70.32 -47.81 59.41 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.51 -1.276 . . . . 0.0 110.282 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 1.035 HD12 ' O ' ' S' ' 32' ' ' VAL . 4.5 mt -70.55 -44.2 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.428 -0.795 . . . . 0.0 110.781 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.8 OUTLIER -68.41 -42.84 78.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.939 -1.1 . . . . 0.0 109.639 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 32.7 t70 -71.54 -35.64 70.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 0.0 109.78 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 6.7 t70 -71.36 -33.98 70.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.4 OUTLIER -65.03 -31.56 72.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.187 -0.946 . . . . 0.0 110.119 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.46 156.25 16.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 16.6 m 55.91 -177.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -0.901 . . . . 0.0 110.218 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 164.0 0.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 0.0 110.161 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -46.72 -28.84 1.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -1.117 . . . . 0.0 110.284 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.17 111.61 20.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 1.02 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.1 OUTLIER -117.69 -95.48 0.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.159 -0.963 . . . . 0.0 110.23 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.741 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.4 m-85 -50.05 -32.71 16.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.689 -0.632 . . . . 0.0 111.428 -178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER 1.28 -69.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-O 121.106 0.479 . . . . 0.0 112.172 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.581 ' N ' ' O ' ' S' ' 5' ' ' TYR . 26.8 t -151.36 53.91 0.85 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -0.981 . . . . 0.0 111.176 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 1.02 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.3 OUTLIER -69.64 175.98 3.84 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 120.709 -1.244 . . . . 0.0 108.889 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.712 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.2 t -77.33 139.24 39.72 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.552 HG23 ' HG ' ' S' ' 31' ' ' LEU . 3.9 p -48.3 -32.63 3.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 120.724 -1.235 . . . . 0.0 110.919 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 3.7 p -66.5 -45.94 87.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.768 -1.208 . . . . 0.0 110.054 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.712 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.23 -33.68 65.47 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.744 -1.223 . . . . 0.0 109.395 179.234 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.927 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.07 -39.51 78.7 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.297 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 13.8 mtpt -70.88 -31.46 68.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.86 -49.76 71.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.156 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.877 HD12 HD22 ' S' ' 35' ' ' LEU . 0.1 OUTLIER -66.37 -44.76 82.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.752 -1.218 . . . . 0.0 109.85 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.093 HD13 HD13 ' S' ' 22' ' ' LEU . 0.0 OUTLIER -63.44 -37.94 89.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.841 -1.162 . . . . 0.0 109.31 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 21.3 m -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.041 -1.037 . . . . 0.0 108.69 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -78.16 -13.04 60.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.972 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 11.9 ttt-85 -88.2 8.04 29.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.947 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.6 OUTLIER 65.8 19.54 11.35 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -178.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 1.093 HD13 HD13 ' S' ' 17' ' ' LEU . 2.4 tm? -150.96 116.16 5.33 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.71 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.3 OUTLIER -85.13 174.11 9.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.345 -0.847 . . . . 0.0 112.103 -178.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 0.8 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -113.25 102.03 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.699 -0.626 . . . . 0.0 110.107 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.38 119.58 6.57 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.528 ' HA3' ' CB ' ' S' ' 30' ' ' GLU . . . 145.55 -171.18 26.66 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.8 HD23 ' N ' ' S' ' 27' ' ' LEU . 0.7 OUTLIER -77.7 179.69 6.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.327 -1.102 . . . . 0.0 109.734 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 0.0 OUTLIER -51.56 -41.37 61.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 109.621 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -67.44 -43.75 80.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 109.215 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.558 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 1.8 mm-40 -56.22 -37.11 69.25 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.862 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.41 -47.6 81.3 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.469 ' O ' HG13 ' S' ' 36' ' ' ILE 0.258 1.0 OUTLIER -60.71 -45.77 97.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.683 0.754 . . . . 0.0 109.731 179.606 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 29.2 mt-30 -67.55 -35.5 79.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.428 -0.795 . . . . 0.0 110.213 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.845 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -66.57 -44.99 80.76 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.072 -1.017 . . . . 0.0 110.435 -179.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.927 ' CD1' HD23 ' S' ' 13' ' ' LEU . 25.7 mt -69.64 -47.79 62.17 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 117.84 -1.544 . . . . 0.0 109.961 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.469 HG13 ' O ' ' S' ' 32' ' ' VAL . 24.5 mt -69.16 -44.61 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 110.88 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -68.46 -40.56 80.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.06 -1.025 . . . . 0.0 109.747 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t0 -71.81 -47.32 54.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 110.363 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.2 t70 -66.58 -27.44 67.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 110.233 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.66 -31.84 73.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.316 -0.865 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.91 150.64 25.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.227 -0.921 . . . . 0.0 110.303 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . 0.429 ' O ' ' O ' ' S' ' 43' ' ' LYS . 21.9 t -146.61 168.81 20.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 0.0 110.163 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' S' ' 42' ' ' SER . 0.1 OUTLIER 61.33 137.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 0.0 110.181 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -133.42 132.64 41.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -1.119 . . . . 0.0 110.147 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.6 91.18 0.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.186 -0.947 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.903 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.1 OUTLIER -123.69 -95.13 0.48 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.338 -0.851 . . . . 0.0 110.253 179.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.771 ' CE1' HD13 ' S' ' 16' ' ' LEU . 7.3 m-85 -50.69 -26.46 5.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.736 -0.603 . . . . 0.0 111.407 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.562 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -11.22 -55.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.013 0.435 . . . . 0.0 112.142 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.589 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -154.43 48.8 0.6 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.876 -1.14 . . . . 0.0 111.814 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.903 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -70.86 166.14 21.74 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 117.864 -1.535 . . . . 0.0 108.319 178.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.842 ' O ' HD12 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -75.3 156.59 35.43 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 1.1 p -49.74 -28.32 3.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.72 -1.238 . . . . 0.0 109.355 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.422 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 7.8 t -66.45 -44.49 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 110.319 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.3 -44.92 62.03 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.89 -1.131 . . . . 0.0 109.795 -179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.903 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.2 mp -55.93 -43.78 77.73 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 118.806 -1.158 . . . . 0.0 108.497 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.734 ' O ' HG23 ' S' ' 18' ' ' THR . 0.0 OUTLIER -68.35 -32.9 73.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.425 -0.797 . . . . 0.0 109.969 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.471 ' O ' ' OG1' ' S' ' 18' ' ' THR . 0.2 OUTLIER -67.19 -50.57 60.48 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.914 -1.116 . . . . 0.0 110.571 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.833 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.4 -44.38 94.84 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.706 -1.246 . . . . 0.0 109.626 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.077 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.4 mt -68.89 -33.78 74.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 110.676 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . 0.734 HG23 ' O ' ' S' ' 14' ' ' LYS . 4.5 p -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.832 -1.167 . . . . 0.0 108.399 177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -78.78 -12.13 60.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.371 -0.83 . . . . 0.0 109.923 179.058 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.617 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 9.4 mtt-85 -87.08 4.1 43.48 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.236 -0.915 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 69.42 17.94 7.99 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.918 ' CD1' HD22 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -149.95 114.6 5.28 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.006 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -72.12 -167.66 0.33 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.181 -0.95 . . . . 0.0 110.769 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.077 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.25 157.52 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.721 0.772 . . . . 0.0 111.278 -179.557 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.54 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -42.27 -98.29 0.01 OUTLIER Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.405 ' H ' ' CB ' ' S' ' 30' ' ' GLU . . . -152.03 -87.91 0.06 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.564 HD11 ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.36 173.71 1.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.168 -1.195 . . . . 0.0 110.934 -179.011 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' S' ' 31' ' ' LEU . 1.6 mmmm -55.3 -47.16 75.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.454 -0.779 . . . . 0.0 111.251 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' S' ' 29' ' ' ASN . 1.5 m120 -65.75 -43.85 87.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.921 -1.112 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.564 ' HG2' HD11 ' S' ' 27' ' ' LEU . 12.4 mm-40 -56.31 -36.91 69.21 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.794 -1.162 . . . . 0.0 108.147 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.896 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -67.0 -48.29 68.88 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.424 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 1.049 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.6 OUTLIER -57.18 -45.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.627 0.727 . . . . 0.0 109.385 179.435 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 27.2 mt-30 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.48 -0.762 . . . . 0.0 110.439 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.941 ' HG2' HD11 ' S' ' 17' ' ' LEU . 2.6 ttm105 -67.18 -43.97 80.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.875 -1.141 . . . . 0.0 110.784 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.903 ' CD1' HD23 ' S' ' 13' ' ' LEU . 22.3 mt -68.95 -47.75 64.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.813 -1.179 . . . . 0.0 110.29 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 1.049 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.5 mt -69.63 -39.43 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.969 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.2 OUTLIER -70.57 -41.26 72.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.979 . . . . 0.0 109.385 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 4.3 m-20 -71.59 -38.19 70.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.479 -0.763 . . . . 0.0 110.007 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 4.0 t70 -73.56 -46.06 49.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 4.0 mm-40 -68.66 -48.97 62.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -96.82 165.38 12.14 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.266 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.75 77.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.33 -0.857 . . . . 0.0 110.237 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' S' ' 44' ' ' GLY . 6.3 mmtt -85.87 -13.95 46.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.217 -0.927 . . . . 0.0 110.15 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' S' ' 43' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.63 70.73 4.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -1.139 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.32 41.57 2.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.117 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 1.005 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.8 OUTLIER -120.79 -95.12 0.49 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.247 -0.908 . . . . 0.0 110.555 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.731 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.9 m-85 -49.12 -29.09 4.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.635 -0.666 . . . . 0.0 111.52 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 43.1 m -3.81 -64.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.063 0.458 . . . . 0.0 112.102 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 45.5 m -153.17 56.17 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.111 -0.993 . . . . 0.0 111.011 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 1.005 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.47 173.38 10.41 Favored 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 118.6 -1.24 . . . . 0.0 109.409 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.677 ' O ' HD12 ' S' ' 13' ' ' LEU . 2.4 m -76.83 142.95 40.06 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.41 HG13 ' N ' ' S' ' 11' ' ' VAL . 3.8 p -49.0 -37.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 120.724 -1.235 . . . . 0.0 110.523 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.603 ' H ' HG22 ' S' ' 9' ' ' THR . 0.3 OUTLIER -65.1 -45.43 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.939 -1.1 . . . . 0.0 110.112 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' S' ' 13' ' ' LEU . 0.0 OUTLIER -72.5 -35.23 68.08 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.83 -1.169 . . . . 0.0 110.063 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.923 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.7 -39.36 80.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -69.68 -30.66 68.38 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 6.6 t0 -65.79 -50.18 65.61 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.783 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -63.52 -45.17 91.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.771 -1.206 . . . . 0.0 109.622 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.059 HD13 ' O ' ' S' ' 23' ' ' SER . 7.0 mt -68.09 -33.76 75.12 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.933 -1.104 . . . . 0.0 110.153 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -59.43 -43.36 93.12 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.6 -14.29 59.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.689 -0.632 . . . . 0.0 109.379 178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 8.6 ttt-85 -87.39 0.38 55.56 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.354 -0.841 . . . . 0.0 110.413 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.83 23.3 11.41 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.782 HD13 ' O ' ' S' ' 23' ' ' SER . 3.3 tm? -150.83 91.18 1.69 Allowed 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.059 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -52.53 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.557 -1.34 . . . . 0.0 110.855 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.04 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -109.81 161.17 8.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 110.753 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.513 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -42.08 -101.44 0.01 OUTLIER Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.444 ' C ' HD23 ' S' ' 27' ' ' LEU . . . -159.25 -53.26 0.01 OUTLIER Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.809 HD23 ' N ' ' S' ' 27' ' ' LEU . 0.1 OUTLIER -85.12 166.76 16.36 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.96 -1.318 . . . . 0.0 109.847 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.567 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.4 OUTLIER -52.4 -45.87 66.04 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 109.49 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -67.29 -43.63 81.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.335 -0.853 . . . . 0.0 109.989 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.538 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 44.4 mm-40 -55.38 -33.81 63.77 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.068 -1.02 . . . . 0.0 108.528 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.894 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -70.2 -48.55 56.64 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.815 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.57 -45.33 86.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 179.014 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 82.7 mt-30 -67.45 -36.0 80.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.474 -0.766 . . . . 0.0 110.748 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.923 ' HG2' HD11 ' S' ' 17' ' ' LEU . 12.2 ttm180 -68.92 -43.89 74.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.821 -1.175 . . . . 0.0 111.141 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.923 ' CD1' HD23 ' S' ' 13' ' ' LEU . 16.7 mt -70.03 -47.2 63.06 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 109.892 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.815 HD12 ' O ' ' S' ' 32' ' ' VAL . 21.9 mt -70.09 -42.7 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.841 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.17 -41.06 74.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.939 -1.1 . . . . 0.0 109.694 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 62.0 t0 -71.48 -41.18 69.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 110.021 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.511 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 9.3 t70 -71.74 -41.65 68.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.146 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' S' ' 41' ' ' GLU . 1.4 tt0 -67.94 -28.8 67.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -0.94 . . . . 0.0 110.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' S' ' 40' ' ' GLU . 0.7 OUTLIER 42.11 -152.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.376 -0.828 . . . . 0.0 110.369 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 4.6 m -73.62 -158.02 0.05 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.289 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 158.2 17.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.282 -0.887 . . . . 0.0 110.222 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.42 157.04 34.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.268 -1.137 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 139.69 30.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.195 -0.941 . . . . 0.0 110.22 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.971 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER -125.65 -95.57 0.45 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.253 -0.904 . . . . 0.0 110.483 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.644 ' CG ' ' HB3' ' S' ' 35' ' ' LEU . 5.8 m-85 -50.85 -32.94 21.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.546 -0.721 . . . . 0.0 111.078 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.568 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER 3.01 -68.79 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 CA-C-O 121.13 0.49 . . . . 0.0 111.887 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.62 ' N ' ' O ' ' S' ' 5' ' ' TYR . 33.5 t -154.47 49.16 0.61 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.132 -0.98 . . . . 0.0 111.328 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.971 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -63.1 172.93 1.59 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.276 -1.515 . . . . 0.0 108.143 178.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.484 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 0.2 OUTLIER -74.56 155.11 38.24 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.827 HG22 ' HD2' ' S' ' 28' ' ' LYS . 5.0 t -51.29 -27.8 6.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.607 -1.308 . . . . 0.0 109.392 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 5.4 t -68.03 -44.93 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.454 -0.779 . . . . 0.0 110.599 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.595 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -71.94 -42.54 66.51 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 118.893 -1.123 . . . . 0.0 109.213 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.906 HD11 ' HE3' ' S' ' 28' ' ' LYS . 14.2 mt -56.84 -43.99 81.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 20.6 mmtt -68.65 -32.16 71.8 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.435 -0.79 . . . . 0.0 109.318 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -49.58 62.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.925 HD21 HD12 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -64.58 -44.34 90.98 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.732 -1.23 . . . . 0.0 110.021 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.069 HD13 HD13 ' S' ' 22' ' ' LEU . 0.1 OUTLIER -64.55 -34.77 79.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.916 -1.115 . . . . 0.0 109.606 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 17.6 m -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.149 -0.97 . . . . 0.0 108.492 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -14.42 59.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -88.2 10.96 17.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.264 -0.897 . . . . 0.0 110.275 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' S' ' 20' ' ' ARG . 57.6 m-80 60.29 20.87 10.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 1.069 HD13 HD13 ' S' ' 17' ' ' LEU . 2.8 tm? -148.87 113.18 5.25 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.677 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.4 OUTLIER -83.42 173.77 11.23 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.431 -0.793 . . . . 0.0 112.318 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 0.735 HG13 ' HG2' ' S' ' 34' ' ' ARG . 0.1 OUTLIER -112.95 92.97 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.684 -0.635 . . . . 0.0 109.865 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.82 113.86 4.26 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.498 ' HA3' ' HB3' ' S' ' 30' ' ' GLU . . . 147.55 174.99 19.97 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.522 ' H ' HD23 ' S' ' 27' ' ' LEU . 0.4 OUTLIER -66.7 179.44 1.07 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.436 -1.038 . . . . 0.0 110.738 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.906 ' HE3' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -52.15 -47.13 65.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.636 -179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -63.77 -39.07 93.36 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.404 -1.435 . . . . 0.0 108.553 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.519 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 42.6 mm-40 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.709 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -61.15 -47.27 86.97 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.977 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -59.85 -44.85 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 5.2 mm100 -66.34 -35.95 81.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 110.732 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.85 ' HG2' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -69.18 -44.65 71.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.98 -1.075 . . . . 0.0 110.6 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.914 HD22 ' CD1' ' S' ' 16' ' ' LEU . 35.1 mt -70.04 -49.1 54.63 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 118.667 -1.213 . . . . 0.0 111.088 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.977 HD12 ' O ' ' S' ' 32' ' ' VAL . 3.0 mt -69.64 -38.1 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.403 -0.811 . . . . 0.0 110.398 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tttt -69.79 -37.88 76.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.006 -1.059 . . . . 0.0 108.766 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' S' ' 41' ' ' GLU . 44.5 t0 -72.27 -38.66 68.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.514 -0.741 . . . . 0.0 110.368 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.535 ' OD2' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -62.19 -41.89 98.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.107 -0.996 . . . . 0.0 110.069 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.58 -27.7 50.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.24 -0.912 . . . . 0.0 110.164 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' S' ' 38' ' ' ASP . 3.2 pt-20 -119.06 47.6 1.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 0.0 110.187 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' S' ' 43' ' ' LYS . 0.1 OUTLIER -85.74 -74.44 0.41 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.299 -0.876 . . . . 0.0 110.252 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' S' ' 42' ' ' SER . 2.7 ptmt 178.05 54.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p 46.07 76.29 0.1 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -1.13 . . . . 0.0 110.148 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.13 132.76 28.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.206 -0.934 . . . . 0.0 110.281 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.968 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -128.71 -95.67 0.41 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.245 -0.91 . . . . 0.0 110.378 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.923 ' CE1' HD13 ' S' ' 16' ' ' LEU . 6.9 m-85 -50.37 -24.63 3.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.553 -0.717 . . . . 0.0 110.615 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.542 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.6 OUTLIER -10.75 -55.1 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.601 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.5 OUTLIER -153.91 44.29 0.57 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.741 -1.224 . . . . 0.0 112.491 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.968 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -77.96 157.55 29.67 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 117.439 -1.704 . . . . 0.0 107.946 177.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.462 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 16.1 p -75.64 162.87 27.88 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 118.781 -1.167 . . . . 0.0 108.01 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' S' ' 13' ' ' LEU . 3.3 m -50.4 -27.2 4.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 O-C-N 120.775 -1.203 . . . . 0.0 109.79 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -46.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.36 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.607 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.9 -44.25 61.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.756 -1.215 . . . . 0.0 108.72 179.223 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.982 HD11 ' HE3' ' S' ' 28' ' ' LYS . 9.9 mt -57.09 -40.9 77.9 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 72.8 tttt -69.18 -33.09 72.84 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.644 -0.66 . . . . 0.0 109.455 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -66.86 -50.04 63.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.982 . . . . 0.0 110.011 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.937 HD21 HD12 ' S' ' 8' ' ' LEU . 0.0 OUTLIER -61.75 -45.01 95.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.947 -1.096 . . . . 0.0 109.851 179.503 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.132 ' CD1' HG13 ' S' ' 24' ' ' VAL . 5.0 mt -68.65 -33.72 74.48 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.946 -1.096 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -59.62 -43.42 93.82 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -78.98 -16.59 56.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.722 -0.611 . . . . 0.0 109.79 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.585 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 3.8 ttt-85 -87.5 -5.77 58.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.308 -0.87 . . . . 0.0 110.335 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 3.8 t30 69.75 22.87 5.9 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.889 HD13 ' O ' ' S' ' 22' ' ' LEU . 2.5 tm? -146.03 80.79 1.58 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.904 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -47.6 -176.85 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.406 -0.808 . . . . 0.0 112.182 -178.325 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.132 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER -119.35 71.81 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.34 115.86 7.48 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' S' ' 30' ' ' GLU . . . 140.07 171.64 12.47 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.533 ' N ' ' HB2' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -66.01 179.51 0.9 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.437 -1.037 . . . . 0.0 110.645 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.982 ' HE3' HD11 ' S' ' 13' ' ' LEU . 0.0 OUTLIER -53.25 -48.35 68.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 0.0 110.489 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -63.19 -39.13 93.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.466 -1.396 . . . . 0.0 108.623 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.533 ' HB2' ' N ' ' S' ' 27' ' ' LEU . 26.6 mm-40 -56.33 -39.48 72.89 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.738 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.2 OUTLIER -61.13 -47.82 84.48 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.45 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -55.41 -43.21 70.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 119.484 -0.886 . . . . 0.0 108.659 178.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.9 mm-40 -67.45 -36.43 81.16 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.467 -0.771 . . . . 0.0 110.988 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.809 ' HG2' HD11 ' S' ' 17' ' ' LEU . 7.5 ttm180 -69.86 -44.44 69.82 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.755 -1.216 . . . . 0.0 111.178 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.778 HD22 HD12 ' S' ' 16' ' ' LEU . 13.7 mt -70.6 -47.85 58.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.004 -1.06 . . . . 0.0 110.684 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.534 ' HA ' ' OD1' ' S' ' 39' ' ' ASP . 39.8 mt -71.16 -39.77 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.478 -0.763 . . . . 0.0 110.667 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -70.3 -37.72 74.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.933 -1.104 . . . . 0.0 109.196 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 20.1 t0 -71.85 -45.05 62.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.435 -0.791 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.534 ' OD1' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -65.87 -47.99 73.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 110.309 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' S' ' 42' ' ' SER . 3.6 tt0 -68.39 -35.86 78.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 45.01 -93.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.299 -0.876 . . . . 0.0 110.133 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . 0.504 ' N ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER -76.34 175.51 9.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.088 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' OE1' ' S' ' 40' ' ' GLU . 4.6 mttt -133.6 55.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.175 -0.953 . . . . 0.0 110.224 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . 0.618 ' O ' ' HB2' ' S' ' 3' ' ' ALA . 24.2 p -169.64 48.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' S' ' 2' ' ' SER . . . 174.62 163.61 0.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.195 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.981 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.9 OUTLIER -118.54 -95.57 0.48 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.218 -0.926 . . . . 0.0 110.637 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.89 ' CE1' HD13 ' S' ' 16' ' ' LEU . 9.4 m-85 -50.3 -29.01 8.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.623 -0.673 . . . . 0.0 111.443 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.576 ' C ' ' O ' ' S' ' 5' ' ' TYR . 1.0 OUTLIER -5.12 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.364 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.595 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -153.77 47.51 0.64 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.995 -1.066 . . . . 0.0 111.826 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.981 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.1 OUTLIER -70.05 163.3 26.47 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 117.783 -1.567 . . . . 0.0 107.956 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.828 ' O ' HD12 ' S' ' 13' ' ' LEU . 3.1 m -75.19 156.48 35.79 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' S' ' 14' ' ' LYS . 5.5 p -49.17 -27.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.655 -1.278 . . . . 0.0 109.603 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.81 ' H ' HG22 ' S' ' 9' ' ' THR . 6.8 t -67.21 -44.09 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 0.0 110.247 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.608 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.1 OUTLIER -72.28 -44.95 62.01 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.875 -1.141 . . . . 0.0 109.498 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.97 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.3 mp -56.22 -43.47 78.6 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.303 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 25.1 tttt -67.79 -32.01 72.29 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.502 -0.749 . . . . 0.0 109.727 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -68.48 -50.36 52.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 0.0 110.351 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.89 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -62.8 -44.94 94.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.814 -1.179 . . . . 0.0 109.928 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.081 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.1 mt -68.19 -34.08 75.61 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.285 -0.884 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -60.01 -45.37 93.0 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -78.97 -14.65 59.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.663 -0.648 . . . . 0.0 110.165 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.562 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 0.2 OUTLIER -87.59 -3.69 58.98 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.145 -0.972 . . . . 0.0 110.453 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 71.06 20.96 5.04 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.811 HD13 ' O ' ' S' ' 22' ' ' LEU . 1.1 tm? -146.81 86.64 1.66 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.955 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -49.1 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.318 -0.864 . . . . 0.0 111.365 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.081 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -109.64 152.04 11.77 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 121.138 -0.976 . . . . 0.0 110.563 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.493 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -39.47 -98.37 0.01 OUTLIER Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.26 -65.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.594 ' N ' ' CD2' ' S' ' 27' ' ' LEU . 2.0 mm? -61.84 155.66 22.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.081 -1.247 . . . . 0.0 110.61 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.523 ' CE ' ' O ' ' S' ' 8' ' ' LEU . 5.5 tptm -53.99 -44.18 70.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 2.1 m-20 -66.87 -41.14 87.79 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.533 ' CG ' ' HB2' ' S' ' 27' ' ' LEU . 3.7 mm-40 -55.93 -37.37 68.85 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.885 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.5 -48.5 72.37 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.318 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.422 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -56.64 -44.02 80.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.233 178.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 56.9 mt-30 -67.33 -38.06 84.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.534 -0.729 . . . . 0.0 110.883 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.897 ' HG2' HD11 ' S' ' 17' ' ' LEU . 3.5 ttm180 -66.75 -44.32 81.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.663 -1.273 . . . . 0.0 110.974 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.97 ' CD1' HD23 ' S' ' 13' ' ' LEU . 14.8 mt -70.01 -48.14 59.29 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.877 -1.139 . . . . 0.0 110.496 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 55.4 mt -70.97 -40.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.7 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 11.9 tmtt? -69.32 -41.15 77.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.96 -1.088 . . . . 0.0 109.22 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 13.5 m-20 -71.99 -36.39 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -0.838 . . . . 0.0 110.125 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.478 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 3.2 t0 -71.66 -44.87 63.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.318 -0.864 . . . . 0.0 110.61 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.6 OUTLIER -62.67 -31.77 72.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.103 -0.998 . . . . 0.0 110.196 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -91.96 117.29 29.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 0.0 110.148 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 68.8 p -90.48 -16.41 28.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.861 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -93.1 166.07 12.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 110.172 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' S' ' 3' ' ' ALA . 0.7 OUTLIER -100.84 53.55 0.85 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.269 -1.136 . . . . 0.0 110.091 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' S' ' 2' ' ' SER . . . 42.72 71.98 0.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 110.308 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 1.08 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.4 OUTLIER -128.44 -95.09 0.42 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.207 -0.933 . . . . 0.0 110.481 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.943 ' CE1' HD13 ' S' ' 16' ' ' LEU . 15.8 m-85 -50.17 -35.15 25.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.667 -0.646 . . . . 0.0 111.967 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.7 OUTLIER 4.95 -72.09 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.134 0.492 . . . . 0.0 112.076 -179.666 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -150.84 57.75 0.92 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.176 -0.952 . . . . 0.0 110.851 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 1.08 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -77.87 -177.26 4.84 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.771 -1.205 . . . . 0.0 109.192 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.947 ' O ' HD12 ' S' ' 13' ' ' LEU . 40.1 p -81.48 136.5 35.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.181 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -48.14 -30.52 2.65 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.327 -1.483 . . . . 0.0 109.876 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.3 -47.15 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.184 -0.948 . . . . 0.0 109.925 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.959 ' OE1' HD21 ' S' ' 16' ' ' LEU . 0.0 OUTLIER -72.95 -38.09 66.88 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 1.157 HD23 ' CD1' ' S' ' 35' ' ' LEU . 1.1 mp -57.37 -39.65 76.48 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 106.201 -1.778 . . . . 0.0 106.201 177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 0.3 OUTLIER -67.27 -31.09 71.18 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' S' ' 12' ' ' GLN . 51.4 t0 -67.93 -49.85 59.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.262 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.959 HD21 ' OE1' ' S' ' 12' ' ' GLN . 0.0 OUTLIER -60.76 -43.91 97.39 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 118.437 -1.305 . . . . 0.0 109.485 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.046 ' CD1' HG13 ' S' ' 24' ' ' VAL . 6.8 mt -70.09 -33.22 71.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.711 -1.243 . . . . 0.0 110.13 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -58.64 -41.8 86.84 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -17.17 56.11 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HD3' ' CD2' ' S' ' 17' ' ' LEU . 3.8 ttt85 -86.8 -3.42 59.06 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.425 -0.797 . . . . 0.0 110.42 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t-20 66.42 23.32 10.61 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.778 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.3 tm? -147.43 81.22 1.52 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.877 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.6 OUTLIER -45.61 177.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 111.038 -178.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.046 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER -104.61 154.77 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.833 -179.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -39.06 -98.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.02 -81.98 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -62.36 167.38 4.24 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -1.226 . . . . 0.0 111.05 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.607 ' HE2' HD13 ' S' ' 13' ' ' LEU . 3.6 tptp -51.85 -46.87 64.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.784 . . . . 0.0 111.275 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.42 -43.36 94.59 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.842 -1.161 . . . . 0.0 110.301 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.478 ' HB2' ' HG ' ' S' ' 27' ' ' LEU . 21.0 mm-40 -56.34 -38.24 71.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.84 -1.163 . . . . 0.0 108.552 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.923 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.19 -47.19 77.82 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' S' ' 6' ' ' SER . 0.6 OUTLIER -60.28 -44.48 95.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-O 121.575 0.703 . . . . 0.0 109.608 179.052 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 7.6 mt-30 -67.66 -42.73 81.7 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.467 -0.771 . . . . 0.0 111.119 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.803 ' HG2' HD11 ' S' ' 17' ' ' LEU . 6.2 ttm-85 -64.58 -44.48 90.53 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.881 -1.137 . . . . 0.0 111.102 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 1.157 ' CD1' HD23 ' S' ' 13' ' ' LEU . 11.9 mt -70.98 -46.78 61.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.691 -1.256 . . . . 0.0 110.52 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.444 HG13 ' O ' ' S' ' 32' ' ' VAL . 62.7 mt -69.47 -43.82 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 110.547 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.1 OUTLIER -70.72 -42.85 70.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.055 -1.028 . . . . 0.0 109.96 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 9.9 t0 -71.46 -46.23 60.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 43.5 t0 -66.15 -34.68 78.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -72.45 -27.35 62.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 110.038 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.62 -32.19 47.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.126 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.35 -22.48 26.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.38 165.96 12.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.225 -0.922 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' S' ' 3' ' ' ALA . 0.8 OUTLIER -175.84 -159.08 0.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -1.187 . . . . 0.0 110.172 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' S' ' 2' ' ' SER . . . 63.33 133.32 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -0.876 . . . . 0.0 110.276 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.942 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.4 OUTLIER -128.16 -95.1 0.43 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.279 -0.888 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.781 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.7 m-85 -49.4 -26.92 3.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.768 -0.583 . . . . 0.0 111.476 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.577 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -5.86 -62.14 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-O 121.074 0.464 . . . . 0.0 112.164 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.58 ' N ' ' O ' ' S' ' 5' ' ' TYR . 3.8 m -153.95 52.46 0.69 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.099 -1.001 . . . . 0.0 111.126 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.942 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -70.82 171.48 10.53 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.558 -1.339 . . . . 0.0 108.776 178.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.697 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.3 t -76.4 140.43 41.35 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.512 HG23 ' HG ' ' S' ' 31' ' ' LEU . 3.2 p -48.04 -33.84 4.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.863 -1.148 . . . . 0.0 111.0 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.543 HG13 ' N ' ' S' ' 12' ' ' GLN . 4.2 p -65.64 -45.57 91.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 120.831 -1.168 . . . . 0.0 110.042 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.697 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -72.69 -34.13 66.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 109.77 179.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.889 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.01 -40.18 80.15 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.326 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.541 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 14.2 mtmt -67.66 -32.68 73.53 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.512 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 9.4 t0 -65.55 -49.63 68.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 0.0 110.666 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.801 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.65 -44.88 89.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.643 -1.285 . . . . 0.0 109.781 179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.061 HD13 ' O ' ' S' ' 23' ' ' SER . 7.5 mt -67.78 -34.63 77.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.894 -1.129 . . . . 0.0 110.013 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -59.89 -43.4 94.8 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -78.58 -13.54 59.78 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.589 -0.694 . . . . 0.0 109.532 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 18.7 ttt85 -87.2 7.93 26.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.376 -0.828 . . . . 0.0 110.265 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 8.9 t-20 64.36 19.42 11.79 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.912 HD13 ' O ' ' S' ' 23' ' ' SER . 2.7 tm? -151.19 123.12 8.13 Favored 'General case' 0 C--O 1.2 -1.503 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.061 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.8 OUTLIER -80.14 -168.1 1.54 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.691 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.053 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.93 160.61 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.295 -0.878 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.53 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -48.81 -110.32 0.01 OUTLIER Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.0 -85.24 0.12 Allowed Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.003 -1.292 . . . . 0.0 110.347 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.583 HD11 ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.56 172.7 1.13 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.995 -1.297 . . . . 0.0 110.584 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.503 ' HE2' ' CA ' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -59.8 -47.0 87.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 111.261 -179.045 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.512 ' N ' ' OD1' ' S' ' 29' ' ' ASN . 1.0 OUTLIER -62.34 -34.35 76.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.739 -1.225 . . . . 0.0 109.511 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.583 ' HG2' HD11 ' S' ' 27' ' ' LEU . 10.0 mm-40 -66.99 -38.3 85.77 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.91 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -65.03 -48.21 74.65 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' S' ' 36' ' ' ILE 0.25 0.8 OUTLIER -59.36 -45.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.314 179.37 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.4 -35.67 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.537 -0.727 . . . . 0.0 110.518 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.938 ' HG2' HD11 ' S' ' 17' ' ' LEU . 5.6 ttm105 -68.32 -43.58 77.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.931 -1.106 . . . . 0.0 110.855 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.889 ' CD1' HD23 ' S' ' 13' ' ' LEU . 21.3 mt -69.13 -47.13 65.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.533 -1.354 . . . . 0.0 109.669 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' S' ' 40' ' ' GLU . 34.4 mt -68.09 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 110.113 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -70.91 -44.96 65.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.181 -0.949 . . . . 0.0 109.968 179.233 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 16.8 t70 -68.19 -42.72 79.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.226 -0.921 . . . . 0.0 109.928 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.518 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 8.9 t70 -73.54 -32.09 64.01 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.36 -0.837 . . . . 0.0 110.221 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' S' ' 36' ' ' ILE . 5.6 mm-40 -61.43 -43.27 99.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.932 . . . . 0.0 110.232 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' S' ' 42' ' ' SER . 0.1 OUTLIER 64.57 32.39 11.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' S' ' 41' ' ' GLU . 1.7 t 68.42 -63.75 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.3 -0.875 . . . . 0.0 110.222 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' S' ' 41' ' ' GLU . 1.4 mptt -101.94 157.1 17.1 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.146 -0.971 . . . . 0.0 110.265 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -1.145 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.12 90.95 3.45 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -0.908 . . . . 0.0 110.198 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.975 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER -128.78 -95.82 0.4 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.235 -0.915 . . . . 0.0 110.341 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 1.038 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.1 m-85 -49.7 -28.33 5.88 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.618 -0.676 . . . . 0.0 110.75 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.525 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -14.41 -50.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 112.781 0.659 . . . . 0.0 112.781 -178.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.586 ' N ' ' O ' ' S' ' 5' ' ' TYR . 75.8 m -151.17 43.56 0.78 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 118.332 -1.347 . . . . 0.0 113.109 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.975 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -83.65 158.77 21.74 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 117.412 -1.715 . . . . 0.0 108.281 177.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.466 ' OG1' ' OE1' ' S' ' 12' ' ' GLN . 2.5 p -75.47 162.18 28.56 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.292 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.576 ' HA ' HD12 ' S' ' 13' ' ' LEU . 7.7 p -50.75 -27.3 4.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 120.964 -1.085 . . . . 0.0 109.296 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.479 ' HB ' ' OE1' ' S' ' 12' ' ' GLN . 14.6 t -67.97 -45.13 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.592 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.9 OUTLIER -71.76 -44.96 63.15 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 118.493 -1.283 . . . . 0.0 109.497 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.791 ' HB3' HD11 ' S' ' 35' ' ' LEU . 3.5 mt -57.46 -43.67 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.567 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 3.0 tppp? -66.3 -33.14 75.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.387 -0.82 . . . . 0.0 109.215 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.493 ' HA ' ' OG1' ' S' ' 18' ' ' THR . 0.1 OUTLIER -70.25 -49.12 53.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.343 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 1.038 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -59.89 -43.88 94.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 118.585 -1.246 . . . . 0.0 109.995 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.048 ' CD1' HG13 ' S' ' 24' ' ' VAL . 7.6 mt -71.24 -34.04 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.544 -1.347 . . . . 0.0 110.966 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' S' ' 15' ' ' ASP . 0.7 OUTLIER -59.07 -40.47 85.31 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -79.2 -17.83 54.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.74 -0.6 . . . . 0.0 109.454 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 4.2 ttt180 -87.17 -4.4 59.11 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.86 . . . . 0.0 110.321 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 67.78 22.4 8.86 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -178.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.798 HD13 ' O ' ' S' ' 22' ' ' LEU . 3.2 tm? -145.37 82.1 1.64 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.876 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -45.08 176.48 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.218 -0.926 . . . . 0.0 111.247 -178.389 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.048 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.1 OUTLIER -105.44 155.13 6.63 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.881 -179.6 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -34.52 -99.73 0.01 OUTLIER Glycine 0 N--CA 1.498 2.809 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.46 ' C ' HD23 ' S' ' 27' ' ' LEU . . . -163.29 -46.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.38 0 O-C-N 121.151 -1.206 . . . . 0.0 110.536 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.818 HD23 ' N ' ' S' ' 27' ' ' LEU . 0.1 OUTLIER -90.05 162.21 15.45 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.854 -1.38 . . . . 0.0 109.834 -179.685 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.576 ' HE3' ' CD1' ' S' ' 13' ' ' LEU . 6.7 tptm -51.33 -46.63 62.7 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.0 -1.062 . . . . 0.0 109.827 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.412 ' H ' ' ND2' ' S' ' 29' ' ' ASN . 15.7 m-80 -66.09 -43.64 86.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.041 . . . . 0.0 109.775 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.478 ' HG3' ' HG ' ' S' ' 27' ' ' LEU . 1.9 mm-40 -55.72 -35.99 66.73 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.119 -0.988 . . . . 0.0 108.534 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.928 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -66.23 -47.4 73.93 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.439 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -58.38 -43.94 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.562 0.696 . . . . 0.0 109.239 178.62 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -67.9 -43.67 78.75 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.462 -0.773 . . . . 0.0 111.402 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.743 ' HG2' HD11 ' S' ' 17' ' ' LEU . 5.5 ttm-85 -63.93 -44.08 93.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.809 -1.182 . . . . 0.0 110.913 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' S' ' 13' ' ' LEU . 12.7 mt -71.41 -47.33 56.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.12 -0.988 . . . . 0.0 110.691 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 54.1 mt -69.57 -40.1 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.461 -0.774 . . . . 0.0 109.715 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 15.1 ttmt -70.73 -40.97 72.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 30.9 t0 -70.67 -43.5 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.297 -0.877 . . . . 0.0 109.825 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 1.7 t70 -68.98 -32.2 71.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.83 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' S' ' 42' ' ' SER . 1.2 mm-40 -73.57 -37.6 65.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.27 -0.894 . . . . 0.0 109.918 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.4 OUTLIER 65.39 -69.27 0.1 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 110.171 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . 0.495 ' N ' ' O ' ' S' ' 40' ' ' GLU . 27.7 m -58.86 -179.45 0.07 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -0.865 . . . . 0.0 110.192 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 16.5 mttm 51.48 -172.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m 54.56 57.86 5.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -1.161 . . . . 0.0 110.189 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.32 57.08 0.65 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 1.018 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.2 OUTLIER -129.03 -95.74 0.4 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.243 -0.91 . . . . 0.0 110.592 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.82 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.8 m-85 -50.32 -29.86 10.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 0.0 111.416 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.58 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.8 OUTLIER 0.07 -67.15 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 CA-C-O 121.068 0.461 . . . . 0.0 112.013 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.598 ' N ' ' O ' ' S' ' 5' ' ' TYR . 25.2 t -153.66 54.81 0.73 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.928 . . . . 0.0 111.004 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 1.018 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -71.85 177.05 4.46 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.636 -1.29 . . . . 0.0 109.265 179.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.769 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.5 t -81.67 143.91 31.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.77 -34.7 6.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.706 -1.246 . . . . 0.0 110.966 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.596 HG13 ' N ' ' S' ' 12' ' ' GLN . 11.3 p -66.66 -45.91 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.771 -1.206 . . . . 0.0 110.344 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.769 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.22 -34.75 66.09 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.701 -1.25 . . . . 0.0 109.83 179.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.953 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.4 -39.66 80.31 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 177.333 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.675 ' O ' HG23 ' S' ' 18' ' ' THR . 4.3 ttmm -70.12 -30.63 67.87 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.472 ' O ' ' OG1' ' S' ' 18' ' ' THR . 22.5 t0 -65.51 -49.43 69.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.931 . . . . 0.0 110.183 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -64.77 -44.59 89.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.703 -1.248 . . . . 0.0 109.697 179.487 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.059 HD13 ' O ' ' S' ' 23' ' ' SER . 7.6 mt -68.02 -36.64 80.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.943 -1.098 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . 0.675 HG23 ' O ' ' S' ' 14' ' ' LYS . 4.5 p -59.74 -42.09 92.4 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.71 -13.91 59.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.677 -0.639 . . . . 0.0 109.549 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 23.1 ttt85 -87.59 8.25 26.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.42 -0.8 . . . . 0.0 110.372 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.3 OUTLIER 65.14 20.47 12.0 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.528 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.902 HD13 ' O ' ' S' ' 23' ' ' SER . 2.7 tm? -153.57 123.17 6.71 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.059 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -80.43 -167.89 1.51 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.77 -1.206 . . . . 0.0 110.626 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.045 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.44 159.93 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 110.354 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.551 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -45.05 -103.92 0.01 OUTLIER Glycine 0 N--CA 1.494 2.557 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.415 ' H ' ' CB ' ' S' ' 30' ' ' GLU . . . -149.87 -79.17 0.02 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.555 ' CG ' ' HG2' ' S' ' 30' ' ' GLU . 0.4 OUTLIER -65.65 167.96 8.33 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.015 -1.286 . . . . 0.0 111.049 -179.137 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' S' ' 8' ' ' LEU . 4.6 tptm -52.03 -47.21 65.13 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.556 -0.715 . . . . 0.0 111.34 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -65.37 -42.27 92.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.797 -1.189 . . . . 0.0 110.038 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.555 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 12.7 mm-40 -56.36 -37.68 70.38 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.76 -1.176 . . . . 0.0 108.336 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.885 HD13 ' CB ' ' S' ' 24' ' ' VAL . 0.1 OUTLIER -64.26 -48.34 76.14 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.479 ' O ' HG13 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.59 -45.79 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.453 -0.779 . . . . 0.0 109.879 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.545 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 2.8 mt-30 -67.03 -35.7 80.47 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.529 -0.732 . . . . 0.0 110.52 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.921 ' HG2' HD11 ' S' ' 17' ' ' LEU . 9.6 ttm180 -68.84 -44.0 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.001 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.953 ' CD1' HD23 ' S' ' 13' ' ' LEU . 23.3 mt -69.26 -47.23 65.26 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 118.098 -1.441 . . . . 0.0 109.807 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' S' ' 40' ' ' GLU . 21.4 mt -68.81 -43.06 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 C-N-CA 119.474 -0.89 . . . . 0.0 110.245 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 0.0 OUTLIER -71.34 -47.17 58.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.012 -1.055 . . . . 0.0 110.24 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 29.3 t0 -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.472 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' S' ' 35' ' ' LEU . 9.1 t0 -66.84 -29.41 69.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.258 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 45.8 tt0 -70.35 -37.14 74.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.0 110.196 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -66.95 107.9 2.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.218 -0.926 . . . . 0.0 110.186 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 12.4 t -92.77 139.58 30.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.199 -0.938 . . . . 0.0 110.217 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.62 141.04 51.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.188 -0.945 . . . . 0.0 110.14 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.5 96.68 2.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -1.158 . . . . 0.0 110.167 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.09 -135.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.923 . . . . 0.0 110.245 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.973 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER -114.69 -94.63 0.47 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.121 -0.987 . . . . 0.0 110.474 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.752 ' CE1' HD13 ' S' ' 16' ' ' LEU . 10.0 m-85 -49.38 -27.37 3.98 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.635 -0.666 . . . . 0.0 111.274 -178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.579 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.2 -62.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 121.051 0.453 . . . . 0.0 112.124 -179.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.579 ' N ' ' O ' ' S' ' 5' ' ' TYR . 8.7 m -153.31 54.5 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.12 -0.987 . . . . 0.0 111.1 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.973 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -73.03 174.98 7.1 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.657 -1.277 . . . . 0.0 109.043 179.165 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.748 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.2 t -81.6 143.75 31.73 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.411 HG13 ' N ' ' S' ' 11' ' ' VAL . 7.1 p -48.43 -35.78 6.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 120.785 -1.197 . . . . 0.0 111.088 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' S' ' 12' ' ' GLN . 2.6 p -66.23 -46.0 88.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 120.845 -1.16 . . . . 0.0 110.302 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.718 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -72.84 -34.8 67.02 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.604 -1.31 . . . . 0.0 109.881 179.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.951 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.57 -40.07 82.07 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.45 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.524 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 1.8 tttt -69.1 -30.99 69.4 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.611 ' HB2' ' HA ' ' S' ' 12' ' ' GLN . 0.3 OUTLIER -65.5 -49.54 68.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 110.268 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.788 HD11 HD13 ' S' ' 35' ' ' LEU . 0.0 OUTLIER -64.29 -45.15 89.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.654 -1.279 . . . . 0.0 109.757 179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.062 HD13 ' O ' ' S' ' 23' ' ' SER . 7.4 mt -67.65 -34.41 76.9 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.803 -1.186 . . . . 0.0 109.966 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -78.44 -13.77 59.69 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.653 -0.654 . . . . 0.0 109.376 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 6.1 ttt85 -86.99 7.51 27.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.24 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 0.1 OUTLIER 64.6 20.31 12.1 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -178.355 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.913 HD13 ' O ' ' S' ' 23' ' ' SER . 2.8 tm? -152.15 122.67 7.33 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.062 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.8 OUTLIER -79.92 -167.49 1.29 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.682 -1.261 . . . . 0.0 110.608 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.038 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.36 160.98 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 110.298 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.554 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -46.62 -104.95 0.01 OUTLIER Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . 0.407 ' H ' ' CB ' ' S' ' 30' ' ' GLU . . . -148.84 -80.49 0.03 OUTLIER Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.167 -1.196 . . . . 0.0 110.174 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.535 ' CG ' ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -63.93 167.76 5.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.056 -1.261 . . . . 0.0 110.92 -179.103 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.598 ' HE3' HD13 ' S' ' 13' ' ' LEU . 0.3 OUTLIER -52.09 -47.33 65.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.65 -0.656 . . . . 0.0 111.354 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.95 -42.71 94.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.758 -1.213 . . . . 0.0 110.218 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.535 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 19.1 mm-40 -56.1 -38.92 71.39 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.418 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.94 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.58 -48.36 77.73 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 178.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.564 HG12 ' HG2' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -59.71 -45.63 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 109.822 179.255 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.564 ' HG2' HG12 ' S' ' 32' ' ' VAL . 5.8 mm100 -66.95 -36.76 82.94 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 110.617 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.955 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.02 -43.78 78.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.083 . . . . 0.0 111.139 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.951 ' CD1' HD23 ' S' ' 13' ' ' LEU . 27.3 mt -68.82 -46.79 67.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.464 -1.397 . . . . 0.0 109.727 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.529 ' HA ' ' OD2' ' S' ' 39' ' ' ASP . 34.6 mt -68.06 -39.49 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.15 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -71.53 -38.57 71.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.89 -1.131 . . . . 0.0 109.766 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.493 ' HB3' ' O ' ' S' ' 34' ' ' ARG . 6.2 t0 -71.45 -43.63 66.31 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.295 -0.878 . . . . 0.0 110.586 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -62.04 -28.07 69.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.05 -1.031 . . . . 0.0 110.129 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' S' ' 41' ' ' GLU . 0.5 OUTLIER -55.35 -34.34 64.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.207 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' S' ' 40' ' ' GLU . 0.7 OUTLIER 64.54 102.01 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.212 -0.93 . . . . 0.0 110.151 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -63.87 1.21 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.914 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.77 5.47 4.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.215 -0.928 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.09 -176.03 3.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.3 -1.118 . . . . 0.0 110.211 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.53 64.74 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.877 . . . . 0.0 110.156 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.947 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.3 OUTLIER -120.33 -95.95 0.48 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.177 -0.952 . . . . 0.0 110.357 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 1.036 ' CE1' HD13 ' S' ' 16' ' ' LEU . 8.5 m-85 -50.05 -26.27 4.21 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.516 -0.74 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.514 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -18.23 -46.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.03 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -151.55 40.58 0.68 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.431 -1.418 . . . . 0.0 113.325 -179.283 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.947 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.0 OUTLIER -84.24 155.75 22.32 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 117.266 -1.773 . . . . 0.0 108.203 177.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' S' ' 12' ' ' GLN . 16.4 p -75.45 162.38 28.4 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.685 ' HA ' HD12 ' S' ' 13' ' ' LEU . 34.4 m -50.34 -27.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.723 -1.236 . . . . 0.0 109.586 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.458 HG12 ' OE1' ' S' ' 12' ' ' GLN . 17.2 t -66.31 -46.59 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 110.437 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' S' ' 16' ' ' LEU . 0.0 OUTLIER -73.03 -43.99 61.37 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.581 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' S' ' 10' ' ' VAL . 12.0 mt -56.2 -43.15 78.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.506 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 8.6 tttt -69.32 -32.66 71.92 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.441 -0.787 . . . . 0.0 109.518 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -66.79 -50.19 63.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.028 -1.045 . . . . 0.0 109.94 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 1.036 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -61.58 -44.52 96.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.885 -1.134 . . . . 0.0 109.81 179.435 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.058 ' CD1' HG13 ' S' ' 24' ' ' VAL . 8.6 mt -68.9 -33.93 74.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.887 -1.133 . . . . 0.0 110.438 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -59.76 -43.65 94.2 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.32 -15.44 57.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.689 -0.632 . . . . 0.0 110.158 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' S' ' 17' ' ' LEU . 1.8 ttt-85 -87.3 -0.01 56.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.14 -0.975 . . . . 0.0 110.664 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.9 t30 69.35 20.73 7.25 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.713 ' O ' ' HB3' ' S' ' 17' ' ' LEU . 0.4 OUTLIER -147.63 96.22 2.64 Favored 'General case' 0 C--O 1.199 -1.588 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.672 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.027 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.7 OUTLIER -54.37 -168.07 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.699 -1.251 . . . . 0.0 110.756 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.058 HG13 ' CD1' ' S' ' 17' ' ' LEU . 0.0 OUTLIER -112.55 157.01 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.452 -0.78 . . . . 0.0 110.93 -179.298 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.536 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -41.06 -94.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.23 -85.98 0.05 OUTLIER Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.57 ' H ' HD23 ' S' ' 27' ' ' LEU . 0.3 OUTLIER -62.57 167.8 4.14 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -1.209 . . . . 0.0 110.9 -179.223 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' S' ' 10' ' ' VAL . 0.3 OUTLIER -51.95 -47.33 64.79 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.538 -0.727 . . . . 0.0 111.333 -179.215 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -64.06 -42.86 96.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.737 -1.227 . . . . 0.0 109.789 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.553 ' HG2' ' CG ' ' S' ' 27' ' ' LEU . 61.0 mm-40 -56.27 -37.2 69.49 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.339 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.862 HD13 HG11 ' S' ' 24' ' ' VAL . 0.1 OUTLIER -63.98 -48.11 77.74 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.09 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.822 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -57.28 -44.13 83.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.448 -0.782 . . . . 0.0 109.341 178.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.533 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 46.5 mt-30 -67.18 -44.08 80.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.448 -0.783 . . . . 0.0 111.066 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.893 ' HG2' HD11 ' S' ' 17' ' ' LEU . 4.0 ttm-85 -61.9 -44.59 96.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.931 -1.106 . . . . 0.0 111.289 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.734 HD22 HD12 ' S' ' 16' ' ' LEU . 15.4 mt -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.975 -1.078 . . . . 0.0 111.036 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.822 HD12 ' O ' ' S' ' 32' ' ' VAL . 22.9 mt -70.07 -37.11 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.421 -0.799 . . . . 0.0 110.174 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 8.2 mmmt -70.9 -40.48 72.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.023 -1.048 . . . . 0.0 108.882 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' S' ' 34' ' ' ARG . 0.8 OUTLIER -71.69 -37.39 70.71 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.511 -0.743 . . . . 0.0 109.983 179.478 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 0.8 OUTLIER -71.01 -37.67 72.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.448 -0.782 . . . . 0.0 110.258 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.1 OUTLIER -70.23 -46.18 64.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.986 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' S' ' 40' ' ' GLU . 3.0 tp10 52.66 170.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.194 -0.941 . . . . 0.0 110.297 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . . . . . . . . . 7.3 m 53.35 -166.89 0.07 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' S' ' 43' ' ' LYS . 0.4 OUTLIER -135.67 73.96 1.49 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -81.4 -28.17 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -1.18 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . 48.48 69.92 0.51 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 110.14 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 1.023 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.7 OUTLIER -118.45 -95.19 0.49 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.286 -0.884 . . . . 0.0 110.443 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.785 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.7 m-85 -49.52 -29.89 7.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.599 -0.688 . . . . 0.0 111.13 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.575 ' C ' ' O ' ' S' ' 5' ' ' TYR . 3.3 p -0.83 -66.89 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.181 0.515 . . . . 0.0 112.072 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.583 ' N ' ' O ' ' S' ' 5' ' ' TYR . 0.9 OUTLIER -152.47 54.78 0.8 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 110.971 179.49 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 1.023 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -72.02 177.86 4.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.733 -1.229 . . . . 0.0 109.217 179.356 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.818 ' O ' HD12 ' S' ' 13' ' ' LEU . 1.5 t -82.03 142.89 31.96 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -48.5 -34.15 5.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 120.781 -1.199 . . . . 0.0 110.984 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.616 HG12 ' OG1' ' S' ' 9' ' ' THR . 12.4 p -66.89 -45.98 86.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.748 -1.22 . . . . 0.0 110.378 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.767 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.5 -35.02 65.57 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.686 -1.259 . . . . 0.0 110.013 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 1.059 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.4 OUTLIER -58.98 -40.31 84.44 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 177.614 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.726 ' O ' HG23 ' S' ' 18' ' ' THR . 2.2 tttt -69.78 -31.35 69.23 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . 0.453 ' O ' ' OG1' ' S' ' 18' ' ' THR . 46.9 t0 -64.49 -49.44 71.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 110.249 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.1 OUTLIER -66.16 -44.41 84.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.777 -1.202 . . . . 0.0 109.988 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.076 HD13 HD13 ' S' ' 22' ' ' LEU . 0.1 OUTLIER -66.44 -37.83 86.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.658 -1.276 . . . . 0.0 109.907 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . 0.726 HG23 ' O ' ' S' ' 14' ' ' LYS . 11.6 p -61.37 -42.53 98.86 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.891 -1.13 . . . . 0.0 108.391 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -78.51 -14.59 59.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.592 -0.692 . . . . 0.0 109.956 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 25.6 ttt85 -87.89 8.55 25.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 52.4 t30 66.0 21.84 11.26 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 1.076 HD13 HD13 ' S' ' 17' ' ' LEU . 2.4 tm? -153.79 114.43 4.01 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 0.648 ' C ' HD12 ' S' ' 17' ' ' LEU . 0.4 OUTLIER -81.34 171.66 14.52 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.259 -0.901 . . . . 0.0 111.743 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 0.796 ' CB ' HD13 ' S' ' 31' ' ' LEU . 0.0 OUTLIER -103.54 137.9 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.391 -0.818 . . . . 0.0 111.619 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' S' ' 24' ' ' VAL . . . -25.8 -103.64 0.0 OUTLIER Glycine 0 N--CA 1.501 3.02 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.805 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.65 -73.5 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 119.497 -1.335 . . . . 0.0 111.017 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.606 HD11 ' HG2' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.95 162.66 8.78 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.029 -1.277 . . . . 0.0 111.277 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.633 ' HZ1' HD13 ' S' ' 13' ' ' LEU . 3.0 tptp -51.74 -46.97 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.637 -0.665 . . . . 0.0 111.255 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -63.75 -41.08 98.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.685 -1.259 . . . . 0.0 109.812 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.606 ' HG2' HD11 ' S' ' 27' ' ' LEU . 33.9 mm-40 -56.41 -38.03 70.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.696 -1.253 . . . . 0.0 108.247 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.896 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.3 OUTLIER -65.71 -47.71 74.45 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.796 0.808 . . . . 0.0 109.727 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 0.47 HG12 ' N ' ' S' ' 33' ' ' GLN . 0.5 OUTLIER -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.582 0.706 . . . . 0.0 110.216 179.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 44.7 mt-30 -67.64 -39.37 84.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.302 -0.874 . . . . 0.0 110.622 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.763 ' CG ' HD11 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -65.34 -45.34 84.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.939 -1.1 . . . . 0.0 110.605 -179.289 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 1.059 ' CD1' HD23 ' S' ' 13' ' ' LEU . 43.6 mt -69.46 -46.99 65.4 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 117.911 -1.516 . . . . 0.0 110.437 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.533 ' O ' ' CG ' ' S' ' 40' ' ' GLU . 48.7 mt -69.5 -42.93 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 110.796 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' S' ' 33' ' ' GLN . 1.6 mtpm? -70.07 -41.45 74.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.912 -1.118 . . . . 0.0 109.613 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 34.7 t70 -71.94 -41.92 67.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.488 -0.758 . . . . 0.0 110.295 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.534 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 15.1 t0 -72.76 -36.5 67.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.287 -0.883 . . . . 0.0 110.306 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' S' ' 36' ' ' ILE . 7.1 mm-40 -55.62 -43.58 76.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.108 -0.995 . . . . 0.0 110.045 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.07 96.41 6.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.259 -0.901 . . . . 0.0 110.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . 0.492 ' O ' ' N ' ' S' ' 44' ' ' GLY . 11.3 m -86.69 65.9 9.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 110.281 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm 52.94 -88.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 110.238 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' S' ' 42' ' ' SER . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' S' S ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.21 16.57 5.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -1.154 . . . . 0.0 110.238 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.7 120.47 18.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 110.246 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . 0.969 ' O ' HD21 ' S' ' 8' ' ' LEU . 0.6 OUTLIER -128.9 -95.12 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.235 -0.915 . . . . 0.0 110.557 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 5' ' ' TYR . . . . . 0.883 ' CE1' HD13 ' S' ' 16' ' ' LEU . 11.6 m-85 -49.97 -28.4 6.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.763 -0.585 . . . . 0.0 111.837 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 6' ' ' SER . . . . . 0.567 ' C ' ' O ' ' S' ' 5' ' ' TYR . 0.3 OUTLIER -5.83 -61.49 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 7' ' ' SER . . . . . 0.591 ' N ' ' O ' ' S' ' 5' ' ' TYR . 95.3 p -153.51 55.73 0.75 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.97 -1.082 . . . . 0.0 111.352 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.969 HD21 ' O ' ' S' ' 4' ' ' ASP . 0.2 OUTLIER -74.19 177.28 5.89 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.593 -1.317 . . . . 0.0 109.237 179.068 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 9' ' ' THR . . . . . 0.777 HG23 ' H ' ' S' ' 12' ' ' GLN . 1.7 t -82.49 146.35 29.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.992 -1.068 . . . . 0.0 108.335 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 10' ' ' VAL . . . . . 0.421 HG13 ' N ' ' S' ' 11' ' ' VAL . 4.3 p -48.93 -37.67 9.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 120.786 -1.197 . . . . 0.0 111.119 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 11' ' ' VAL . . . . . 0.589 HG13 ' N ' ' S' ' 12' ' ' GLN . 10.7 p -65.52 -46.2 90.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.818 -1.176 . . . . 0.0 110.645 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 12' ' ' GLN . . . . . 0.777 ' H ' HG23 ' S' ' 9' ' ' THR . 0.0 OUTLIER -73.06 -35.04 66.62 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.717 -1.24 . . . . 0.0 110.09 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 13' ' ' LEU . . . . . 0.922 HD23 ' CD1' ' S' ' 35' ' ' LEU . 0.3 OUTLIER -58.64 -39.5 80.72 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.483 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 14' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' S' ' 24' ' ' VAL . 2.7 tttt -69.96 -30.77 68.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.8 -49.71 69.6 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.405 -0.918 . . . . 0.0 110.203 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 16' ' ' LEU . . . . . 0.883 HD13 ' CE1' ' S' ' 5' ' ' TYR . 0.0 OUTLIER -65.49 -45.24 84.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.767 -1.208 . . . . 0.0 109.914 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 17' ' ' LEU . . . . . 1.068 HD13 ' O ' ' S' ' 23' ' ' SER . 7.4 mt -67.54 -34.66 77.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.109 . . . . 0.0 110.076 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 18' ' ' THR . . . . . . . . . . . . . 13.7 m -60.33 -42.81 96.42 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -13.82 59.65 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 120.204 -0.599 . . . . 0.0 109.424 178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 20' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' S' ' 16' ' ' LEU . 12.1 ttt-85 -87.4 7.76 27.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.392 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 21' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' S' ' 20' ' ' ARG . 1.3 t30 64.7 18.66 11.53 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 22' ' ' LEU . . . . . 0.92 HD13 ' O ' ' S' ' 23' ' ' SER . 2.8 tm? -150.18 120.14 7.16 Favored 'General case' 0 C--O 1.201 -1.469 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 23' ' ' SER . . . . . 1.068 ' O ' HD13 ' S' ' 17' ' ' LEU . 0.9 OUTLIER -77.78 -166.98 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.733 -1.229 . . . . 0.0 110.567 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 24' ' ' VAL . . . . . 1.05 ' CG1' HD12 ' S' ' 17' ' ' LEU . 0.0 OUTLIER -110.67 164.63 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 110.413 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 0.556 ' N ' ' HD2' ' S' ' 34' ' ' ARG . . . -55.86 -136.34 0.0 OUTLIER Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.9 -82.35 1.16 Allowed Glycine 0 N--CA 1.493 2.453 0 O-C-N 120.787 -1.42 . . . . 0.0 111.045 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 27' ' ' LEU . . . . . 0.537 ' HG ' ' CG ' ' S' ' 30' ' ' GLU . 0.3 OUTLIER -61.93 165.28 5.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.081 -1.246 . . . . 0.0 111.497 -178.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.551 ' NZ ' HD13 ' S' ' 13' ' ' LEU . 5.8 tptp -52.36 -47.21 66.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.346 -0.846 . . . . 0.0 110.527 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 29' ' ' ASN . . . . . 0.511 ' HB2' HD12 ' S' ' 27' ' ' LEU . 1.4 m-20 -61.33 -36.71 80.9 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.791 -1.164 . . . . 0.0 109.251 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 30' ' ' GLU . . . . . 0.537 ' CG ' ' HG ' ' S' ' 27' ' ' LEU . 29.5 mm-40 -59.36 -41.23 88.77 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.224 178.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 31' ' ' LEU . . . . . 0.922 ' HB3' HD22 ' S' ' 13' ' ' LEU . 0.1 OUTLIER -63.07 -48.43 78.69 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.414 -0.804 . . . . 0.0 109.156 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 32' ' ' VAL . . . . . 1.045 ' O ' HD12 ' S' ' 36' ' ' ILE . 0.5 OUTLIER -60.23 -45.84 95.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 109.716 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 33' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' S' ' 37' ' ' LYS . 8.3 mt-30 -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.399 -0.813 . . . . 0.0 110.316 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 34' ' ' ARG . . . . . 0.945 ' HG2' HD11 ' S' ' 17' ' ' LEU . 8.8 ttm180 -68.88 -43.91 74.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.936 -1.103 . . . . 0.0 111.107 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 35' ' ' LEU . . . . . 0.922 ' CD1' HD23 ' S' ' 13' ' ' LEU . 25.4 mt -69.38 -47.61 63.74 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.374 -1.454 . . . . 0.0 109.76 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 1.045 HD12 ' O ' ' S' ' 32' ' ' VAL . 5.1 mt -68.13 -42.98 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 110.281 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' S' ' 33' ' ' GLN . 17.6 tptp -71.05 -46.53 61.81 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.031 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 38' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' S' ' 34' ' ' ARG . 8.8 t70 -69.09 -35.73 76.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.177 -0.952 . . . . 0.0 110.381 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 39' ' ' ASP . . . . . 0.531 ' HB3' ' O ' ' S' ' 35' ' ' LEU . 13.9 t70 -73.31 -30.03 63.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.241 -0.912 . . . . 0.0 110.41 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 40' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' S' ' 36' ' ' ILE . 0.0 OUTLIER -63.45 -48.95 75.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 110.133 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' S' ' 42' ' ' SER . 0.6 OUTLIER -55.36 166.57 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' S' ' 41' ' ' GLU . 0.1 OUTLIER 65.83 43.02 3.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.233 -0.917 . . . . 0.0 110.187 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -74.62 -65.12 0.9 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.96 . . . . . . . . 0 0 . 1 stop_ save_