data_2n4n_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 2n4n _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.403 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 16.5 pt-20 . . . . . 0 C--O 1.24 0.556 0 CA-C-O 120.755 0.312 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -106.94 148.17 28.95 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CB ' ' CD2' ' A' ' 12' ' ' PHE . 49.8 t80 -148.16 122.21 9.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.841 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.462 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 42.2 t80 -130.28 106.42 8.56 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 69.3 mm-40 -142.71 149.55 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.382 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.794 0.33 . . . . 0.0 110.607 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 2.9 m-85 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' A' ' 14' ' ' ARG . 28.8 pt . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 122.665 1.221 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' N ' ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 121.357 0.599 . . . . 0.0 112.596 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.395 0.14 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 17' ' ' GLY . 33.9 m -61.46 -132.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.4 p -130.98 150.09 52.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 111.298 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -157.41 153.09 6.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.665 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -140.79 144.5 35.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.271 0.558 . . . . 0.0 111.813 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -170.99 162.02 7.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.109 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 N--CA 1.469 0.494 0 O-C-N 123.525 0.516 . . . . 0.0 111.67 178.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 16.7 pt-20 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 121.569 0.7 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.7 129.31 45.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.392 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 36.7 t80 -172.77 -176.0 1.39 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' N ' ' CG ' ' A' ' 3' ' ' PHE . 6.3 m-85 64.93 119.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.579 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 1.7 mp0 -128.4 -97.36 0.39 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.615 0.721 . . . . 0.0 111.38 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 6' ' ' LYS . 4.2 tp-100 . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.539 ' O ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 122.845 1.307 . . . . 0.0 114.27 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 4.9 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.895 0.379 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 27.5 pt . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.835 0.826 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.48 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 ' CG2' ' NH1' ' A' ' 21' ' ' ARG . 73.7 m -106.57 106.08 16.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.192 0.52 . . . . 0.0 110.441 -178.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' PHE . 75.3 mt -136.98 138.92 45.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 9.0 mpt_? -105.7 130.21 53.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.899 0.38 . . . . 0.0 110.246 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' H ' ' HA ' ' A' ' 11' ' ' LYS . 5.7 tp10 -80.17 149.75 30.4 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.744 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.639 0.257 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -118.23 161.22 20.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.409 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.0 94.51 2.07 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.584 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 m-85 -121.51 79.07 1.5 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.584 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.33 170.48 9.57 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.205 0.526 . . . . 0.0 109.8 176.537 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 119.736 -0.174 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.706 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.433 0.635 . . . . 0.0 109.426 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.8 ttmp? . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.132 0.968 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG21 HD13 ' A' ' 13' ' ' ILE . 50.1 mm . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' H ' ' HB ' ' A' ' 19' ' ' THR . 39.0 mmt180 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.503 ' CG1' ' H ' ' A' ' 18' ' ' VAL . 30.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.503 ' H ' ' CG1' ' A' ' 15' ' ' VAL . 8.6 p -173.48 159.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.995 0.426 . . . . 0.0 111.373 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 8.1 t -122.86 156.18 35.12 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.286 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.9 mt -110.67 126.34 68.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.528 ' C ' HE22 ' A' ' 10' ' ' GLN . 41.1 ttm180 -115.21 85.86 2.35 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.201 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 23' ' ' LYS . 47.3 mt-10 -159.91 168.6 25.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' ' 10' ' ' GLN . 2.8 mptp? . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 120.605 0.241 . . . . 0.0 111.416 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.093 0.473 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.478 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -110.28 147.35 34.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.537 ' CE2' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -147.79 109.46 4.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 176.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.574 ' C ' ' H ' ' A' ' 6' ' ' LYS . 59.4 t80 -75.44 164.8 26.0 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.714 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -52.71 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 113.521 -1.672 . . . . 0.0 113.231 178.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' A' ' 4' ' ' TYR . 14.7 ptmm? . . . . . 0 N--CA 1.474 0.758 0 CA-C-N 119.347 0.976 . . . . 0.0 112.05 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.537 ' OE1' ' CE2' ' A' ' 3' ' ' PHE . 22.5 mt-30 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.244 0.792 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 6.4 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.572 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.343 0.592 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.504 ' CB ' ' NH1' ' A' ' 14' ' ' ARG . 9.1 ttp-105 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.805 ' N ' ' H ' ' A' ' 17' ' ' GLY . 84.1 t . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.805 ' H ' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.483 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' CG2' ' N ' ' A' ' 19' ' ' THR . 7.5 p -173.45 165.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.792 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 19' ' ' THR . 10.2 t -108.11 89.51 3.02 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.947 0.403 . . . . 0.0 110.034 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -166.28 149.76 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.745 HH12 ' HZ1' ' A' ' 23' ' ' LYS . 8.4 ptm180 -155.72 157.97 37.46 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.915 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 10' ' ' GLN . 5.6 tp10 -159.5 156.36 28.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HZ1' HH12 ' A' ' 21' ' ' ARG . 10.4 mptt . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 121.182 0.515 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -128.51 151.0 49.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.12 107.71 3.96 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -117.79 133.03 56.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -134.65 131.94 38.36 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.56 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.639 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CB ' ' HE ' ' A' ' 21' ' ' ARG . 13.2 m-30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.55 0.69 . . . . 0.0 111.452 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.2 pt . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.984 0.897 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.632 ' NH2' ' O ' ' A' ' 15' ' ' VAL . 13.7 mmp_? . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' NH2' ' A' ' 14' ' ' ARG . 7.3 p . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.039 0.447 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -149.79 -108.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.8 m -149.75 153.98 37.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 0.0 110.67 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' PHE . 12.3 tt -109.3 134.24 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.185 0.517 . . . . 0.0 110.568 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -117.42 125.75 51.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.367 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -145.34 166.03 26.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.042 178.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.444 -0.758 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.072 -178.621 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.13 0.491 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -120.31 156.36 31.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.331 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.564 ' CD2' ' OE1' ' A' ' 10' ' ' GLN . 52.2 t80 -138.19 120.21 15.53 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -135.47 126.9 28.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.638 ' CA ' HE22 ' A' ' 10' ' ' GLN . 5.6 tp10 -159.99 146.96 16.24 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.898 0.856 . . . . 0.0 111.521 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.461 0.118 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.665 179.646 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.638 HE22 ' CA ' ' A' ' 5' ' ' GLU . 3.0 mm100 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.561 ' H ' HH21 ' A' ' 21' ' ' ARG . 15.3 m-30 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.237 0.541 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.469 0.482 0 CA-C-O 121.948 0.88 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' H ' ' CG1' ' A' ' 18' ' ' VAL . 16.4 ptp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.485 ' CG1' ' H ' ' A' ' 14' ' ' ARG . 60.4 t -116.69 101.18 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 115.49 -0.355 . . . . 0.0 111.006 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.6 p -149.58 141.74 24.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.817 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.633 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 12.5 tt -172.83 119.75 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.923 0.392 . . . . 0.0 110.306 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.633 ' NH2' ' O ' ' A' ' 20' ' ' ILE . 13.6 mmp_? -106.87 124.13 49.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.015 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 10' ' ' GLN . 17.8 tp10 -112.45 131.26 55.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.175 0.512 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.4 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -122.83 155.51 36.46 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.676 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -151.72 112.51 4.22 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.817 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.436 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.9 m-85 -117.67 124.41 48.48 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.948 0.404 . . . . 0.0 110.989 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.661 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -106.22 127.43 53.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.392 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.964 0.888 . . . . 0.0 111.505 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.527 0.203 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.406 ' CD ' HH22 ' A' ' 21' ' ' ARG . 53.5 tt0 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.468 0.175 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 122.015 0.912 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.596 ' H ' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.456 0.169 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.596 ' CG1' ' H ' ' A' ' 14' ' ' ARG . 48.5 t . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 CA-C-O 121.193 0.33 . . . . 0.0 113.251 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 33.5 m -131.83 -174.46 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 t -120.22 132.21 55.27 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.491 0.663 . . . . 0.0 111.657 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 tp -158.07 138.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.824 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 22' ' ' GLU . 33.0 tpt85 -123.12 100.55 6.93 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 17.9 tp10 -77.57 161.97 27.46 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HD2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 117.846 0.294 . . . . 0.0 110.385 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 170.84 17.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.972 0.731 . . . . 0.0 112.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -152.59 126.75 9.15 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.102 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -122.75 131.64 53.87 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 0.0 111.108 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.79 150.08 2.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.776 HE22 ' HE ' ' A' ' 21' ' ' ARG . 73.9 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.212 0.529 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.572 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.205 0.526 . . . . 0.0 111.391 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.626 HH21 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.726 0.298 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.678 ' N ' ' H ' ' A' ' 17' ' ' GLY . 27.7 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.678 ' H ' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . 0 CA--C 1.517 0.197 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.648 ' CG2' ' H ' ' A' ' 19' ' ' THR . 11.0 p -168.57 -174.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.2 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.648 ' H ' ' CG2' ' A' ' 18' ' ' VAL . 72.3 p -105.55 111.09 23.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.325 0.583 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 tt -149.36 131.98 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.895 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.776 ' HE ' HE22 ' A' ' 10' ' ' GLN . 8.6 ttm105 -109.02 119.55 39.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -166.3 173.23 10.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.029 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLU . 87.7 tttt . . . . . 0 N--CA 1.468 0.449 0 O-C-N 123.918 0.762 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.625 0.25 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -137.28 137.27 38.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 10' ' ' GLN . 1.1 t80 -151.12 93.17 1.89 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -122.37 115.19 21.86 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 6' ' ' LYS . 5.6 tp10 -171.87 165.98 6.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.724 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 14.7 ptmm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.642 ' NE2' ' CE2' ' A' ' 3' ' ' PHE . 85.5 mt-30 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 C--O 1.233 0.189 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CD1' ' O ' ' A' ' 13' ' ' ILE 0.369 11.6 m-30 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.666 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 2.1 pp . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.536 ' HD2' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.551 ' CG2' ' H ' ' A' ' 19' ' ' THR . 34.7 m . . . . . 0 N--CA 1.461 0.125 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.66 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.202 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.551 ' H ' ' CG2' ' A' ' 15' ' ' VAL . 7.0 t -172.09 -179.74 2.43 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 pt -130.47 167.42 25.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 122.589 1.185 . . . . 0.0 113.883 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.714 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -155.2 93.95 1.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.313 -1.312 . . . . 0.0 113.865 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' CD ' ' NH2' ' A' ' 21' ' ' ARG . 5.1 mm-40 -141.65 -174.88 4.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.37 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.517 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.617 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -124.94 159.55 30.94 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.16 107.86 13.97 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.795 0.807 . . . . 0.0 110.407 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 41.6 t80 55.26 -128.34 2.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.206 -1.361 . . . . 0.0 114.281 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 55.8 mt-10 -151.82 170.83 18.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.191 0.52 . . . . 0.0 111.436 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 121.305 0.574 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.535 ' OE1' ' CD2' ' A' ' 4' ' ' TYR . 70.8 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.657 ' HZ3' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.478 1.609 . . . . 0.0 114.663 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 14.0 m-30 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.657 ' CD1' ' HZ3' ' A' ' 11' ' ' LYS . 2.0 pp . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 122.231 1.015 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.737 ' NH1' ' H ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.737 ' H ' ' NH1' ' A' ' 14' ' ' ARG . 64.6 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.603 ' CG1' ' H ' ' A' ' 19' ' ' THR . 58.5 t 47.23 -178.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.603 ' H ' ' CG1' ' A' ' 18' ' ' VAL . 86.7 m -111.77 125.44 54.0 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.354 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 pt -129.4 148.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -132.41 141.58 48.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 8.5 mp0 -104.83 157.21 17.36 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.583 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' GLN . 19.1 ptpt . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.718 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.403 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 16.5 pt-20 -159.61 -155.4 0.45 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.755 0.312 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.456 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -106.94 148.17 28.95 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CB ' ' CD2' ' A' ' 12' ' ' PHE . 49.8 t80 -148.16 122.21 9.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.841 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.462 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 42.2 t80 -130.28 106.42 8.56 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 69.3 mm-40 -142.71 149.55 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.382 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.794 0.33 . . . . 0.0 110.607 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.479 ' HAG' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.479 ' O ' ' HAG' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.7 t . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.659 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 11.6 mm100 . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 2.9 m-85 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' A' ' 14' ' ' ARG . 28.8 pt . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 122.665 1.221 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 121.357 0.599 . . . . 0.0 112.596 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.395 0.14 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.538 ' OAB' ' HAG' ' A' ' 16' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 17' ' ' GLY . 33.9 m -61.46 -132.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.4 p -130.98 150.09 52.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 111.298 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -157.41 153.09 6.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.665 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -140.79 144.5 35.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.271 0.558 . . . . 0.0 111.813 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 0.4 OUTLIER -170.99 162.02 7.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.109 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 32.28 27.71 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.525 0.516 . . . . 0.0 111.67 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.659 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.299 -1.613 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.429 ' CH3' ' NE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 16.7 pt-20 -173.35 -147.04 0.04 OUTLIER 'General case' 0 C--O 1.246 0.892 0 CA-C-O 121.569 0.7 . . . . 0.0 112.011 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.7 129.31 45.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.392 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 36.7 t80 -172.77 -176.0 1.39 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' N ' ' CG ' ' A' ' 3' ' ' PHE . 6.3 m-85 64.93 119.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 1.7 mp0 -128.4 -97.36 0.39 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.615 0.721 . . . . 0.0 111.38 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.513 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.513 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 4.2 tp-100 . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' O ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 122.845 1.307 . . . . 0.0 114.27 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 4.9 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.895 0.379 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 27.5 pt . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.835 0.826 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' NE ' ' CH3' ' A' ' 0' ' ' ACE . 22.6 mmt85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG1' ' OAB' ' A' ' 16' ' ' 4FU . 27.4 m . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.527 ' OAB' ' HAG' ' A' ' 16' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.48 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.403 ' CG2' ' NH1' ' A' ' 21' ' ' ARG . 73.7 m -106.57 106.08 16.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.192 0.52 . . . . 0.0 110.441 -178.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' PHE . 75.3 mt -136.98 138.92 45.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 9.0 mpt_? -105.7 130.21 53.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.899 0.38 . . . . 0.0 110.246 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' H ' ' HA ' ' A' ' 11' ' ' LYS . 5.7 tp10 -80.17 149.75 30.4 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.744 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.12 106.67 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.577 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 57.62 -116.98 0.97 Allowed 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.136 0.273 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -118.23 161.22 20.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.409 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.0 94.51 2.07 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.584 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 m-85 -121.51 79.07 1.5 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.584 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.33 170.48 9.57 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.205 0.526 . . . . 0.0 109.8 176.537 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.459 ' HAG' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.459 ' O ' ' HAG' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.4 t . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 119.736 -0.174 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.706 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.433 0.635 . . . . 0.0 109.426 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.8 ttmp? . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.132 0.968 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG21 HD13 ' A' ' 13' ' ' ILE . 50.1 mm . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' H ' ' HB ' ' A' ' 19' ' ' THR . 39.0 mmt180 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.678 ' H ' ' HAG' ' A' ' 16' ' ' 4FU . 30.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.678 ' HAG' ' H ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.503 ' H ' ' CG1' ' A' ' 15' ' ' VAL . 8.6 p -173.48 159.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.995 0.426 . . . . 0.0 111.373 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 8.1 t -122.86 156.18 35.12 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.286 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.9 mt -110.67 126.34 68.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.528 ' C ' HE22 ' A' ' 10' ' ' GLN . 41.1 ttm180 -115.21 85.86 2.35 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.201 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 23' ' ' LYS . 47.3 mt-10 -159.91 168.6 25.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' ' 10' ' ' GLN . 2.8 mptp? 54.55 129.39 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.543 0 CA-C-O 120.605 0.241 . . . . 0.0 111.416 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.301 -1.528 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.74 -165.14 0.33 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.093 0.473 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.478 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -110.28 147.35 34.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.537 ' CE2' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -147.79 109.46 4.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 176.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.574 ' C ' ' H ' ' A' ' 6' ' ' LYS . 59.4 t80 -75.44 164.8 26.0 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.714 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -52.71 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 113.521 -1.672 . . . . 0.0 113.231 178.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' A' ' 4' ' ' TYR . 14.7 ptmm? . . . . . 0 N--CA 1.474 0.758 0 CA-C-N 119.347 0.976 . . . . 0.0 112.05 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.467 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.467 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 22.5 mt-30 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.244 0.792 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 6.4 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.572 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.343 0.592 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.504 ' CB ' ' NH1' ' A' ' 14' ' ' ARG . 9.1 ttp-105 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.805 ' N ' ' H ' ' A' ' 17' ' ' GLY . 84.1 t . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.604 ' C15' ' H ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.805 ' H ' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.483 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' CG2' ' N ' ' A' ' 19' ' ' THR . 7.5 p -173.45 165.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.792 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 19' ' ' THR . 10.2 t -108.11 89.51 3.02 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.947 0.403 . . . . 0.0 110.034 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -166.28 149.76 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.745 HH12 ' HZ1' ' A' ' 23' ' ' LYS . 8.4 ptm180 -155.72 157.97 37.46 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.915 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 10' ' ' GLN . 5.6 tp10 -159.5 156.36 28.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HZ1' HH12 ' A' ' 21' ' ' ARG . 10.4 mptt -91.84 35.65 0.97 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.609 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -162.63 -132.35 0.02 OUTLIER 'General case' 0 C--O 1.246 0.918 0 CA-C-O 121.182 0.515 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -128.51 151.0 49.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.12 107.71 3.96 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -117.79 133.03 56.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -134.65 131.94 38.36 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.56 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.639 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.484 ' HAF' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.484 ' O ' ' HAF' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.5 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 2.7 tp-100 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CB ' ' HE ' ' A' ' 21' ' ' ARG . 13.2 m-30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.55 0.69 . . . . 0.0 111.452 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.2 pt . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.984 0.897 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.632 ' NH2' ' O ' ' A' ' 15' ' ' VAL . 13.7 mmp_? . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' NH2' ' A' ' 14' ' ' ARG . 7.3 p . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.039 0.447 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.568 ' H9 ' ' OAB' ' A' ' 16' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.539 ' N ' ' OAB' ' A' ' 16' ' ' 4FU . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -149.79 -108.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.8 m -149.75 153.98 37.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 0.0 110.67 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' PHE . 12.3 tt -109.3 134.24 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.185 0.517 . . . . 0.0 110.568 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -117.42 125.75 51.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.367 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' OE1' ' N ' ' A' ' 24' ' ' NH2 . 0.5 OUTLIER -145.34 166.03 26.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.042 178.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.68 48.9 0.84 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.072 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.597 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.3 -1.555 0 O-C-N 120.449 -1.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -159.63 173.97 15.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.13 0.491 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -120.31 156.36 31.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.331 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.564 ' CD2' ' OE1' ' A' ' 10' ' ' GLN . 52.2 t80 -138.19 120.21 15.53 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -135.47 126.9 28.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.638 ' CA ' HE22 ' A' ' 10' ' ' GLN . 5.6 tp10 -159.99 146.96 16.24 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.898 0.856 . . . . 0.0 111.521 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.461 0.118 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.665 179.646 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.443 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.443 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.638 HE22 ' CA ' ' A' ' 5' ' ' GLU . 3.0 mm100 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' H ' HH21 ' A' ' 21' ' ' ARG . 15.3 m-30 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.237 0.541 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.469 0.482 0 CA-C-O 121.948 0.88 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' H ' ' CG1' ' A' ' 18' ' ' VAL . 16.4 ptp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.5 ' CG1' ' OAB' ' A' ' 16' ' ' 4FU . 30.3 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.506 ' H9 ' ' OAB' ' A' ' 16' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' CG1' ' H ' ' A' ' 14' ' ' ARG . 60.4 t -116.69 101.18 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 115.49 -0.355 . . . . 0.0 111.006 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.6 p -149.58 141.74 24.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.817 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.633 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 12.5 tt -172.83 119.75 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.923 0.392 . . . . 0.0 110.306 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.633 ' NH2' ' O ' ' A' ' 20' ' ' ILE . 13.6 mmp_? -106.87 124.13 49.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.015 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 10' ' ' GLN . 17.8 tp10 -112.45 131.26 55.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -82.26 113.08 19.83 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -178.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.447 -1.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -87.64 140.06 29.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.175 0.512 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -122.83 155.51 36.46 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.676 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -151.72 112.51 4.22 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.817 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.436 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.9 m-85 -117.67 124.41 48.48 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.948 0.404 . . . . 0.0 110.989 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -106.22 127.43 53.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.392 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.516 ' HB2' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.964 0.888 . . . . 0.0 111.505 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.527 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.527 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.526 ' O ' ' C ' ' A' ' 8' ' ' DPR . 7.4 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.527 0.203 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 53.5 tt0 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.468 0.175 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 122.015 0.912 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.596 ' H ' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.456 0.169 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.671 ' H ' ' H9 ' ' A' ' 16' ' ' 4FU . 48.5 t . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.671 ' H9 ' ' H ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.472 ' O ' ' O1 ' ' A' ' 16' ' ' 4FU . . . . . . . . 0 CA--C 1.53 1.029 0 CA-C-O 121.193 0.33 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 33.5 m -131.83 -174.46 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 t -120.22 132.21 55.27 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.491 0.663 . . . . 0.0 111.657 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 tp -158.07 138.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.824 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 22' ' ' GLU . 33.0 tpt85 -123.12 100.55 6.93 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 17.9 tp10 -77.57 161.97 27.46 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -141.48 37.74 1.68 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 117.846 0.294 . . . . 0.0 110.385 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.617 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 120.294 -1.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -156.01 173.58 16.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 170.84 17.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.972 0.731 . . . . 0.0 112.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -152.59 126.75 9.15 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.102 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -122.75 131.64 53.87 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 0.0 111.108 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.79 150.08 2.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.473 ' HAG' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.473 ' O ' ' HAG' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' DPR . 59.7 t . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.776 HE22 ' HE ' ' A' ' 21' ' ' ARG . 73.9 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.212 0.529 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.572 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.205 0.526 . . . . 0.0 111.391 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.626 HH21 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.726 0.298 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.678 ' N ' ' H ' ' A' ' 17' ' ' GLY . 27.7 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.525 ' O1 ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.678 ' H ' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . 0 CA--C 1.517 0.197 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.648 ' CG2' ' H ' ' A' ' 19' ' ' THR . 11.0 p -168.57 -174.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.2 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.648 ' H ' ' CG2' ' A' ' 18' ' ' VAL . 72.3 p -105.55 111.09 23.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.325 0.583 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 tt -149.36 131.98 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.895 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.776 ' HE ' HE22 ' A' ' 10' ' ' GLN . 8.6 ttm105 -109.02 119.55 39.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -166.3 173.23 10.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.029 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLU . 87.7 tttt -24.23 140.6 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.918 0.762 . . . . 0.0 111.754 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.601 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.489 0 O-C-N 120.335 -1.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.85 -41.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.625 0.25 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -137.28 137.27 38.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 10' ' ' GLN . 1.1 t80 -151.12 93.17 1.89 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -122.37 115.19 21.86 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 6' ' ' LYS . 5.6 tp10 -171.87 165.98 6.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.724 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 14.7 ptmm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.4 ' HAD' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.4 ' O ' ' HAD' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.642 ' NE2' ' CE2' ' A' ' 3' ' ' PHE . 85.5 mt-30 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 C--O 1.233 0.189 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CD1' ' O ' ' A' ' 13' ' ' ILE 0.369 11.6 m-30 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.666 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 2.1 pp . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.665 ' H ' ' C7 ' ' A' ' 16' ' ' 4FU . 34.7 m . . . . . 0 N--CA 1.461 0.125 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.665 ' C7 ' ' H ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.66 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.202 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.551 ' H ' ' CG2' ' A' ' 15' ' ' VAL . 7.0 t -172.09 -179.74 2.43 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 pt -130.47 167.42 25.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 122.589 1.185 . . . . 0.0 113.883 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.714 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -155.2 93.95 1.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.313 -1.312 . . . . 0.0 113.865 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' CD ' ' NH2' ' A' ' 21' ' ' ARG . 5.1 mm-40 -141.65 -174.88 4.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.37 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.69 30.42 18.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.617 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.602 ' N ' ' N ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.674 0 O-C-N 120.655 -1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -138.93 136.46 35.48 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -124.94 159.55 30.94 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.16 107.86 13.97 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.795 0.807 . . . . 0.0 110.407 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 41.6 t80 55.26 -128.34 2.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.206 -1.361 . . . . 0.0 114.281 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 55.8 mt-10 -151.82 170.83 18.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.191 0.52 . . . . 0.0 111.436 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.597 ' NAC' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.597 ' O ' ' NAC' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 8' ' ' DPR . 8.3 p . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 121.305 0.574 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 70.8 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.657 ' HZ3' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.478 1.609 . . . . 0.0 114.663 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 14.0 m-30 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.657 ' CD1' ' HZ3' ' A' ' 11' ' ' LYS . 2.0 pp . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 122.231 1.015 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.737 ' NH1' ' H ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.737 ' H ' ' NH1' ' A' ' 14' ' ' ARG . 64.6 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' 4FU . . . . . 0.615 ' C7 ' ' H ' ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.615 ' H ' ' C7 ' ' A' ' 16' ' ' 4FU . 58.5 t 47.23 -178.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.603 ' H ' ' CG1' ' A' ' 18' ' ' VAL . 86.7 m -111.77 125.44 54.0 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.354 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 pt -129.4 148.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -132.41 141.58 48.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 8.5 mp0 -104.83 157.21 17.36 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.583 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' GLN . 19.1 ptpt -108.05 139.91 42.0 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.718 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.578 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.403 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 16.5 pt-20 . . . . . 0 C--O 1.24 0.556 0 CA-C-O 120.755 0.312 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -106.94 148.17 28.95 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CB ' ' CD2' ' A' ' 12' ' ' PHE . 49.8 t80 -148.16 122.21 9.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.841 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.462 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 42.2 t80 -130.28 106.42 8.56 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 69.3 mm-40 -142.71 149.55 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.382 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.794 0.33 . . . . 0.0 110.607 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.445 HE22 ' HB2' ' A' ' 5' ' ' GLU . 11.6 mm100 . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 2.9 m-85 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 14' ' ' ARG . 28.8 pt . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 122.665 1.221 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.541 ' HD3' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 121.357 0.599 . . . . 0.0 112.596 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.395 0.14 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' HA3' ' HE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 19' ' ' THR . 33.9 m -61.46 -132.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.496 ' N ' HG23 ' A' ' 18' ' ' VAL . 82.4 p -130.98 150.09 52.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 111.298 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -157.41 153.09 6.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.665 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' H ' ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -140.79 144.5 35.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.271 0.558 . . . . 0.0 111.813 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -170.99 162.02 7.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.109 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 N--CA 1.469 0.494 0 O-C-N 123.525 0.516 . . . . 0.0 111.67 178.895 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 16.7 pt-20 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 121.569 0.7 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.7 129.31 45.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.392 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 36.7 t80 -172.77 -176.0 1.39 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' N ' ' CG ' ' A' ' 3' ' ' PHE . 6.3 m-85 64.93 119.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.579 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 1.7 mp0 -128.4 -97.36 0.39 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.615 0.721 . . . . 0.0 111.38 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 22' ' ' GLU . 60.8 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 6' ' ' LYS . 4.2 tp-100 . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HD2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 122.845 1.307 . . . . 0.0 114.27 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CE1' HG23 ' A' ' 19' ' ' THR . 4.9 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.895 0.379 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 27.5 pt . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.835 0.826 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' ILE . 22.6 mmt85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.644 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.4 m . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.48 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.819 HG22 ' NH1' ' A' ' 21' ' ' ARG . 73.7 m -106.57 106.08 16.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.192 0.52 . . . . 0.0 110.441 -178.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' PHE . 75.3 mt -136.98 138.92 45.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.819 ' NH1' HG22 ' A' ' 19' ' ' THR . 9.0 mpt_? -105.7 130.21 53.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.899 0.38 . . . . 0.0 110.246 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' H ' ' HA ' ' A' ' 11' ' ' LYS . 5.7 tp10 -80.17 149.75 30.4 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.744 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.639 0.257 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.435 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 8.1 mpt_? -118.23 161.22 20.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.0 94.51 2.07 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.584 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 m-85 -121.51 79.07 1.5 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.584 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.33 170.48 9.57 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.205 0.526 . . . . 0.0 109.8 176.537 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 119.736 -0.174 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.852 ' N ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.433 0.635 . . . . 0.0 109.426 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.579 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.8 ttmp? . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.132 0.968 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.888 HG12 ' H ' ' A' ' 18' ' ' VAL . 30.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.888 ' H ' HG12 ' A' ' 15' ' ' VAL . 8.6 p -173.48 159.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.995 0.426 . . . . 0.0 111.373 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.547 ' N ' HG22 ' A' ' 18' ' ' VAL . 8.1 t -122.86 156.18 35.12 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.286 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.9 mt -110.67 126.34 68.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -115.21 85.86 2.35 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.201 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.571 ' C ' ' NE2' ' A' ' 10' ' ' GLN . 47.3 mt-10 -159.91 168.6 25.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' ' 10' ' ' GLN . 2.8 mptp? . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 120.605 0.241 . . . . 0.0 111.416 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.093 0.473 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.518 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -110.28 147.35 34.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.537 ' CE2' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -147.79 109.46 4.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 176.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 59.4 t80 -75.44 164.8 26.0 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.714 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -52.71 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 113.521 -1.672 . . . . 0.0 113.231 178.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 4' ' ' TYR . 14.7 ptmm? . . . . . 0 N--CA 1.474 0.758 0 CA-C-N 119.347 0.976 . . . . 0.0 112.05 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.537 ' OE1' ' CE2' ' A' ' 3' ' ' PHE . 22.5 mt-30 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.244 0.792 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 6.4 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.785 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.343 0.592 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.505 ' HE ' ' HB ' ' A' ' 19' ' ' THR . 9.1 ttp-105 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.482 ' N ' ' N ' ' A' ' 17' ' ' GLY . 84.1 t . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.482 ' N ' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.483 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.62 HG22 ' N ' ' A' ' 19' ' ' THR . 7.5 p -173.45 165.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.792 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 19' ' ' THR . 10.2 t -108.11 89.51 3.02 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.947 0.403 . . . . 0.0 110.034 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -166.28 149.76 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.703 HH12 ' NZ ' ' A' ' 23' ' ' LYS . 8.4 ptm180 -155.72 157.97 37.46 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.915 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 10' ' ' GLN . 5.6 tp10 -159.5 156.36 28.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.703 ' NZ ' HH12 ' A' ' 21' ' ' ARG . 10.4 mptt . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 121.182 0.515 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -128.51 151.0 49.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.12 107.71 3.96 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.424 ' OH ' HD12 ' A' ' 13' ' ' ILE . 6.8 m-85 -117.79 133.03 56.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.492 ' HG2' HE22 ' A' ' 10' ' ' GLN . 5.7 tp10 -134.65 131.94 38.36 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.56 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.765 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.492 HE22 ' HG2' ' A' ' 5' ' ' GLU . 35.4 tp60 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.777 ' CD2' HG21 ' A' ' 19' ' ' THR . 13.2 m-30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.55 0.69 . . . . 0.0 111.452 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 13' ' ' ILE . 26.2 pt . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.984 0.897 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.632 ' NH2' ' O ' ' A' ' 15' ' ' VAL . 13.7 mmp_? . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' NH2' ' A' ' 14' ' ' ARG . 7.3 p . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.039 0.447 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 19' ' ' THR . 62.1 t -149.79 -108.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.777 HG21 ' CD2' ' A' ' 12' ' ' PHE . 63.8 m -149.75 153.98 37.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 0.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' PHE . 12.3 tt -109.3 134.24 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.185 0.517 . . . . 0.0 110.568 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HE ' ' CB ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -117.42 125.75 51.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.367 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -145.34 166.03 26.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.042 178.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.444 -0.758 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.072 -178.621 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.13 0.491 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -120.31 156.36 31.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.331 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.714 ' CD2' ' NE2' ' A' ' 10' ' ' GLN . 52.2 t80 -138.19 120.21 15.53 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -135.47 126.9 28.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 5.6 tp10 -159.99 146.96 16.24 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.898 0.856 . . . . 0.0 111.521 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.461 0.118 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.665 179.646 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.714 ' NE2' ' CD2' ' A' ' 3' ' ' PHE . 49.1 mm-40 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 13' ' ' ILE . 67.9 mttm . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.507 ' HB2' ' HE ' ' A' ' 21' ' ' ARG . 15.3 m-30 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.237 0.541 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.469 0.482 0 CA-C-O 121.948 0.88 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 15' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.69 101.18 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 115.49 -0.355 . . . . 0.0 111.006 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.6 p -149.58 141.74 24.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.817 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.633 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 12.5 tt -172.83 119.75 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.923 0.392 . . . . 0.0 110.306 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.633 ' NH2' ' O ' ' A' ' 20' ' ' ILE . 13.6 mmp_? -106.87 124.13 49.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.015 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -112.45 131.26 55.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.58 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.175 0.512 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -122.83 155.51 36.46 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.676 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -151.72 112.51 4.22 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.817 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.436 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.9 m-85 -117.67 124.41 48.48 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.948 0.404 . . . . 0.0 110.989 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -106.22 127.43 53.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.392 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.56 ' NZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.964 0.888 . . . . 0.0 111.505 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.527 0.203 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' CD ' HH22 ' A' ' 21' ' ' ARG . 53.5 tt0 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HE3' HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.468 0.175 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.964 HD12 ' O ' ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 122.015 0.912 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.67 ' N ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.456 0.169 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.67 HG12 ' N ' ' A' ' 14' ' ' ARG . 48.5 t . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 CA-C-O 121.193 0.33 . . . . 0.0 113.251 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 33.5 m -131.83 -174.46 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 t -120.22 132.21 55.27 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.491 0.663 . . . . 0.0 111.657 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 tp -158.07 138.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.824 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 22' ' ' GLU . 33.0 tpt85 -123.12 100.55 6.93 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 17.9 tp10 -77.57 161.97 27.46 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' H ' ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 117.846 0.294 . . . . 0.0 110.385 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.422 ' HG2' HH12 ' A' ' 14' ' ' ARG . 16.6 pt-20 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 170.84 17.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.972 0.731 . . . . 0.0 112.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -152.59 126.75 9.15 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.102 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -122.75 131.64 53.87 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 0.0 111.108 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.79 150.08 2.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' OE1' ' NE ' ' A' ' 21' ' ' ARG . 35.2 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.212 0.529 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.761 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.205 0.526 . . . . 0.0 111.391 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.641 HH21 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.726 0.298 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.7 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.197 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 19' ' ' THR . 11.0 p -168.57 -174.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.2 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.851 ' H ' HG22 ' A' ' 18' ' ' VAL . 72.3 p -105.55 111.09 23.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.325 0.583 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 tt -149.36 131.98 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.895 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.513 ' NH1' ' CB ' ' A' ' 21' ' ' ARG . 8.6 ttm105 -109.02 119.55 39.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -166.3 173.23 10.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.029 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLU . 87.7 tttt . . . . . 0 N--CA 1.468 0.449 0 O-C-N 123.918 0.762 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.625 0.25 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -137.28 137.27 38.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 10' ' ' GLN . 1.1 t80 -151.12 93.17 1.89 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -122.37 115.19 21.86 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 6' ' ' LYS . 5.6 tp10 -171.87 165.98 6.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.724 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 14.7 ptmm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 9' ' ' VAL . 34.2 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.642 ' NE2' ' CE2' ' A' ' 3' ' ' PHE . 85.5 mt-30 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 C--O 1.233 0.189 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CD1' ' O ' ' A' ' 13' ' ' ILE 0.369 11.6 m-30 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.1 pp . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.604 ' CG2' ' H ' ' A' ' 19' ' ' THR . 34.7 m . . . . . 0 N--CA 1.461 0.125 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 18' ' ' VAL . 7.6 p -130.66 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.604 ' H ' ' CG2' ' A' ' 15' ' ' VAL . 7.0 t -172.09 -179.74 2.43 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 pt -130.47 167.42 25.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 122.589 1.185 . . . . 0.0 113.883 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.817 ' HE ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -155.2 93.95 1.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.313 -1.312 . . . . 0.0 113.865 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' CD ' ' NH2' ' A' ' 21' ' ' ARG . 5.1 mm-40 -141.65 -174.88 4.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.37 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.517 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.617 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -124.94 159.55 30.94 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.16 107.86 13.97 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.795 0.807 . . . . 0.0 110.407 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 41.6 t80 55.26 -128.34 2.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.206 -1.361 . . . . 0.0 114.281 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 55.8 mt-10 -151.82 170.83 18.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.191 0.52 . . . . 0.0 111.436 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 9' ' ' VAL . 8.3 p . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 121.305 0.574 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.535 ' OE1' ' CD2' ' A' ' 4' ' ' TYR . 70.8 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HZ2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.478 1.609 . . . . 0.0 114.663 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 14.0 m-30 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 122.231 1.015 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' CG ' ' OG1' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.778 HG12 ' H ' ' A' ' 19' ' ' THR . 58.5 t 47.23 -178.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.778 ' H ' HG12 ' A' ' 18' ' ' VAL . 86.7 m -111.77 125.44 54.0 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.354 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 pt -129.4 148.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -132.41 141.58 48.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 8.5 mp0 -104.83 157.21 17.36 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.583 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' GLN . 19.1 ptpt . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.718 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.403 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 16.5 pt-20 -159.61 -155.4 0.45 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.755 0.312 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -106.94 148.17 28.95 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CB ' ' CD2' ' A' ' 12' ' ' PHE . 49.8 t80 -148.16 122.21 9.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.841 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.462 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 42.2 t80 -130.28 106.42 8.56 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 69.3 mm-40 -142.71 149.55 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.382 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.794 0.33 . . . . 0.0 110.607 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.427 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.427 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.7 t . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.659 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 11.6 mm100 . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 24' ' ' NH2 . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 2.9 m-85 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 14' ' ' ARG . 28.8 pt . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 122.665 1.221 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.541 ' HD3' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 121.357 0.599 . . . . 0.0 112.596 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG13 ' C15' ' A' ' 16' ' ' 4FU . 34.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.395 0.14 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.465 ' O1 ' ' C15' ' A' ' 16' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' HA3' ' HE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 19' ' ' THR . 33.9 m -61.46 -132.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.496 ' N ' HG23 ' A' ' 18' ' ' VAL . 82.4 p -130.98 150.09 52.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 111.298 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -157.41 153.09 6.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.665 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' HD2' ' H ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -140.79 144.5 35.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.271 0.558 . . . . 0.0 111.813 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 0.4 OUTLIER -170.99 162.02 7.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.109 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 32.28 27.71 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.525 0.516 . . . . 0.0 111.67 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.659 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.299 -1.613 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.918 ' H1 ' ' NE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 16.7 pt-20 -173.35 -147.04 0.04 OUTLIER 'General case' 0 C--O 1.246 0.892 0 CA-C-O 121.569 0.7 . . . . 0.0 112.011 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.7 129.31 45.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.392 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 36.7 t80 -172.77 -176.0 1.39 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' N ' ' CG ' ' A' ' 3' ' ' PHE . 6.3 m-85 64.93 119.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 1.7 mp0 -128.4 -97.36 0.39 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.615 0.721 . . . . 0.0 111.38 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.513 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.513 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 22' ' ' GLU . 60.8 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 4.2 tp-100 . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HD2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 122.845 1.307 . . . . 0.0 114.27 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CE1' HG23 ' A' ' 19' ' ' THR . 4.9 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.895 0.379 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 27.5 pt . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.835 0.826 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.918 ' NE ' ' H1 ' ' A' ' 0' ' ' ACE . 22.6 mmt85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.644 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.4 m . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.486 ' C15' HG13 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.48 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.819 HG22 ' NH1' ' A' ' 21' ' ' ARG . 73.7 m -106.57 106.08 16.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.192 0.52 . . . . 0.0 110.441 -178.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' PHE . 75.3 mt -136.98 138.92 45.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.819 ' NH1' HG22 ' A' ' 19' ' ' THR . 9.0 mpt_? -105.7 130.21 53.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.899 0.38 . . . . 0.0 110.246 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' H ' ' HA ' ' A' ' 11' ' ' LYS . 5.7 tp10 -80.17 149.75 30.4 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.744 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.12 106.67 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.577 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 57.62 -116.98 0.97 Allowed 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.136 0.273 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.435 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 8.1 mpt_? -118.23 161.22 20.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.0 94.51 2.07 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.584 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 m-85 -121.51 79.07 1.5 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.584 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.33 170.48 9.57 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.205 0.526 . . . . 0.0 109.8 176.537 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.453 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.4 t . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 119.736 -0.174 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.852 ' N ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.433 0.635 . . . . 0.0 109.426 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.579 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.8 ttmp? . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.132 0.968 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.888 HG12 ' H ' ' A' ' 18' ' ' VAL . 30.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.43 ' C12' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.888 ' H ' HG12 ' A' ' 15' ' ' VAL . 8.6 p -173.48 159.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.995 0.426 . . . . 0.0 111.373 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.547 ' N ' HG22 ' A' ' 18' ' ' VAL . 8.1 t -122.86 156.18 35.12 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.286 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.9 mt -110.67 126.34 68.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -115.21 85.86 2.35 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.201 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.571 ' C ' ' NE2' ' A' ' 10' ' ' GLN . 47.3 mt-10 -159.91 168.6 25.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' ' 10' ' ' GLN . 2.8 mptp? 54.55 129.39 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.543 0 CA-C-O 120.605 0.241 . . . . 0.0 111.416 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.301 -1.528 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.74 -165.14 0.33 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.093 0.473 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.518 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -110.28 147.35 34.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.537 ' CE2' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -147.79 109.46 4.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 176.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 59.4 t80 -75.44 164.8 26.0 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.714 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -52.71 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 113.521 -1.672 . . . . 0.0 113.231 178.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 4' ' ' TYR . 14.7 ptmm? . . . . . 0 N--CA 1.474 0.758 0 CA-C-N 119.347 0.976 . . . . 0.0 112.05 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.467 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.467 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 22.5 mt-30 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.244 0.792 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 6.4 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.785 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.343 0.592 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.505 ' HE ' ' HB ' ' A' ' 19' ' ' THR . 9.1 ttp-105 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' OAB' ' A' ' 16' ' ' 4FU . 84.1 t . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.545 ' OAB' HG23 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.515 ' N ' ' C15' ' A' ' 16' ' ' 4FU . . . . . . . . 0 N--CA 1.463 0.483 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.62 HG22 ' N ' ' A' ' 19' ' ' THR . 7.5 p -173.45 165.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.792 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 19' ' ' THR . 10.2 t -108.11 89.51 3.02 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.947 0.403 . . . . 0.0 110.034 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -166.28 149.76 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.703 HH12 ' NZ ' ' A' ' 23' ' ' LYS . 8.4 ptm180 -155.72 157.97 37.46 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.915 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 10' ' ' GLN . 5.6 tp10 -159.5 156.36 28.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.703 ' NZ ' HH12 ' A' ' 21' ' ' ARG . 10.4 mptt -91.84 35.65 0.97 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.609 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.588 ' H1 ' ' HD2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -162.63 -132.35 0.02 OUTLIER 'General case' 0 C--O 1.246 0.918 0 CA-C-O 121.182 0.515 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -128.51 151.0 49.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.12 107.71 3.96 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.424 ' OH ' HD12 ' A' ' 13' ' ' ILE . 6.8 m-85 -117.79 133.03 56.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.492 ' HG2' HE22 ' A' ' 10' ' ' GLN . 5.7 tp10 -134.65 131.94 38.36 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.56 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.765 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.464 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.482 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.5 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 35.4 tp60 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.777 ' CD2' HG21 ' A' ' 19' ' ' THR . 13.2 m-30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.55 0.69 . . . . 0.0 111.452 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 13' ' ' ILE . 26.2 pt . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.984 0.897 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.632 ' NH2' ' O ' ' A' ' 15' ' ' VAL . 13.7 mmp_? . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' NH2' ' A' ' 14' ' ' ARG . 7.3 p . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.039 0.447 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.539 ' OAB' ' N ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.539 ' N ' ' OAB' ' A' ' 16' ' ' 4FU . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 19' ' ' THR . 62.1 t -149.79 -108.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.777 HG21 ' CD2' ' A' ' 12' ' ' PHE . 63.8 m -149.75 153.98 37.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 0.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' PHE . 12.3 tt -109.3 134.24 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.185 0.517 . . . . 0.0 110.568 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HE ' ' CB ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -117.42 125.75 51.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.367 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' OE1' ' N ' ' A' ' 24' ' ' NH2 . 0.5 OUTLIER -145.34 166.03 26.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.042 178.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.68 48.9 0.84 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.072 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.597 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.3 -1.555 0 O-C-N 120.449 -1.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -159.63 173.97 15.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.13 0.491 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -120.31 156.36 31.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.331 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.714 ' CD2' ' NE2' ' A' ' 10' ' ' GLN . 52.2 t80 -138.19 120.21 15.53 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -135.47 126.9 28.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 5.6 tp10 -159.99 146.96 16.24 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.898 0.856 . . . . 0.0 111.521 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.461 0.118 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.665 179.646 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.443 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.443 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.714 ' NE2' ' CD2' ' A' ' 3' ' ' PHE . 49.1 mm-40 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 13' ' ' ILE . 67.9 mttm . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.507 ' HB2' ' HE ' ' A' ' 21' ' ' ARG . 15.3 m-30 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.237 0.541 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.993 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.469 0.482 0 CA-C-O 121.948 0.88 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.697 ' OAB' HG13 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.69 101.18 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 115.49 -0.355 . . . . 0.0 111.006 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.6 p -149.58 141.74 24.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.817 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.633 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 12.5 tt -172.83 119.75 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.923 0.392 . . . . 0.0 110.306 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.633 ' NH2' ' O ' ' A' ' 20' ' ' ILE . 13.6 mmp_? -106.87 124.13 49.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.015 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -112.45 131.26 55.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -82.26 113.08 19.83 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -178.817 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.447 -1.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -87.64 140.06 29.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.175 0.512 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -122.83 155.51 36.46 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.676 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -151.72 112.51 4.22 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.817 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.436 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.9 m-85 -117.67 124.41 48.48 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.948 0.404 . . . . 0.0 110.989 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.661 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -106.22 127.43 53.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.392 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' NZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.964 0.888 . . . . 0.0 111.505 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.527 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.527 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.527 0.203 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 53.5 tt0 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HE3' HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.468 0.175 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.964 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 122.015 0.912 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.67 ' N ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.456 0.169 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG12 ' N ' ' A' ' 14' ' ' ARG . 48.5 t . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.472 ' O1 ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.472 ' O ' ' O1 ' ' A' ' 16' ' ' 4FU . . . . . . . . 0 CA--C 1.53 1.029 0 CA-C-O 121.193 0.33 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 33.5 m -131.83 -174.46 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 t -120.22 132.21 55.27 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.491 0.663 . . . . 0.0 111.657 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 tp -158.07 138.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.824 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 22' ' ' GLU . 33.0 tpt85 -123.12 100.55 6.93 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 17.9 tp10 -77.57 161.97 27.46 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -141.48 37.74 1.68 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 117.846 0.294 . . . . 0.0 110.385 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.617 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 120.294 -1.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.422 ' HG2' HH12 ' A' ' 14' ' ' ARG . 16.6 pt-20 -156.01 173.58 16.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 170.84 17.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.972 0.731 . . . . 0.0 112.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -152.59 126.75 9.15 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.102 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -122.75 131.64 53.87 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 0.0 111.108 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.79 150.08 2.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.447 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.447 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' DPR . 59.7 t . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.601 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 35.2 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.212 0.529 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.761 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.205 0.526 . . . . 0.0 111.391 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.641 HH21 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.726 0.298 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.7 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.572 ' OAB' HG13 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.525 ' O ' ' O1 ' ' A' ' 16' ' ' 4FU . . . . . . . . 0 CA--C 1.517 0.197 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 19' ' ' THR . 11.0 p -168.57 -174.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.2 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.851 ' H ' HG22 ' A' ' 18' ' ' VAL . 72.3 p -105.55 111.09 23.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.325 0.583 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 tt -149.36 131.98 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.895 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' NH1' ' CB ' ' A' ' 21' ' ' ARG . 8.6 ttm105 -109.02 119.55 39.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -166.3 173.23 10.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.029 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLU . 87.7 tttt -24.23 140.6 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.918 0.762 . . . . 0.0 111.754 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.601 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.489 0 O-C-N 120.335 -1.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.898 ' H1 ' ' HE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.85 -41.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.625 0.25 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -137.28 137.27 38.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 10' ' ' GLN . 1.1 t80 -151.12 93.17 1.89 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -122.37 115.19 21.86 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 6' ' ' LYS . 5.6 tp10 -171.87 165.98 6.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.724 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 14.7 ptmm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 9' ' ' VAL . 34.2 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.642 ' NE2' ' CE2' ' A' ' 3' ' ' PHE . 85.5 mt-30 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 C--O 1.233 0.189 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CD1' ' O ' ' A' ' 13' ' ' ILE 0.369 11.6 m-30 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.1 pp . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.898 ' HE ' ' H1 ' ' A' ' 0' ' ' ACE . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.604 ' CG2' ' H ' ' A' ' 19' ' ' THR . 34.7 m . . . . . 0 N--CA 1.461 0.125 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.528 ' C7 ' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 18' ' ' VAL . 7.6 p -130.66 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.604 ' H ' ' CG2' ' A' ' 15' ' ' VAL . 7.0 t -172.09 -179.74 2.43 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 pt -130.47 167.42 25.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 122.589 1.185 . . . . 0.0 113.883 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.817 ' HE ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -155.2 93.95 1.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.313 -1.312 . . . . 0.0 113.865 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' CD ' ' NH2' ' A' ' 21' ' ' ARG . 5.1 mm-40 -141.65 -174.88 4.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.37 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.69 30.42 18.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.617 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.602 ' N ' ' N ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.674 0 O-C-N 120.655 -1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -138.93 136.46 35.48 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -124.94 159.55 30.94 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.16 107.86 13.97 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.795 0.807 . . . . 0.0 110.407 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.685 ' CD2' ' NE2' ' A' ' 10' ' ' GLN . 41.6 t80 55.26 -128.34 2.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.206 -1.361 . . . . 0.0 114.281 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 55.8 mt-10 -151.82 170.83 18.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.191 0.52 . . . . 0.0 111.436 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.597 ' NAC' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.597 ' O ' ' NAC' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 9' ' ' VAL . 8.3 p . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 121.305 0.574 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.685 ' NE2' ' CD2' ' A' ' 4' ' ' TYR . 12.1 tp-100 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HZ2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.478 1.609 . . . . 0.0 114.663 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 14.0 m-30 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 122.231 1.015 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' CG ' ' OG1' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' C15' ' A' ' 16' ' ' 4FU . 64.6 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' 4FU . . . . . 0.56 ' C7 ' ' H ' ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.778 HG12 ' H ' ' A' ' 19' ' ' THR . 58.5 t 47.23 -178.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.778 ' H ' HG12 ' A' ' 18' ' ' VAL . 86.7 m -111.77 125.44 54.0 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.354 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 pt -129.4 148.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -132.41 141.58 48.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 8.5 mp0 -104.83 157.21 17.36 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.583 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' GLN . 19.1 ptpt -108.05 139.91 42.0 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.718 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.578 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.403 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 16.5 pt-20 . . . . . 0 C--O 1.24 0.556 0 CA-C-O 120.755 0.312 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -106.94 148.17 28.95 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CB ' ' CD2' ' A' ' 12' ' ' PHE . 49.8 t80 -148.16 122.21 9.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.841 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.462 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 42.2 t80 -130.28 106.42 8.56 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 69.3 mm-40 -142.71 149.55 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.382 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.794 0.33 . . . . 0.0 110.607 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.445 HE22 ' HB2' ' A' ' 5' ' ' GLU . 11.6 mm100 . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 2.9 m-85 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 14' ' ' ARG . 28.8 pt . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 122.665 1.221 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.541 ' N ' ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 121.357 0.599 . . . . 0.0 112.596 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.395 0.14 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' HA3' ' HE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 19' ' ' THR . 33.9 m -61.46 -132.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.496 ' N ' HG23 ' A' ' 18' ' ' VAL . 82.4 p -130.98 150.09 52.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 111.298 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -157.41 153.09 6.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.665 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' H ' ' HD2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -140.79 144.5 35.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.271 0.558 . . . . 0.0 111.813 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -170.99 162.02 7.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.109 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 N--CA 1.469 0.494 0 O-C-N 123.525 0.516 . . . . 0.0 111.67 178.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 16.7 pt-20 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 121.569 0.7 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.7 129.31 45.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.392 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 36.7 t80 -172.77 -176.0 1.39 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' N ' ' CG ' ' A' ' 3' ' ' PHE . 6.3 m-85 64.93 119.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.579 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 1.7 mp0 -128.4 -97.36 0.39 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.615 0.721 . . . . 0.0 111.38 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 22' ' ' GLU . 60.8 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' OE1' ' N ' ' A' ' 6' ' ' LYS . 4.2 tp-100 . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HD2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 122.845 1.307 . . . . 0.0 114.27 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CE1' HG23 ' A' ' 19' ' ' THR . 4.9 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.895 0.379 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 27.5 pt . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.835 0.826 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' ILE . 22.6 mmt85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.644 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.4 m . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.48 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.819 HG22 ' NH1' ' A' ' 21' ' ' ARG . 73.7 m -106.57 106.08 16.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.192 0.52 . . . . 0.0 110.441 -178.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' PHE . 75.3 mt -136.98 138.92 45.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.819 ' NH1' HG22 ' A' ' 19' ' ' THR . 9.0 mpt_? -105.7 130.21 53.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.899 0.38 . . . . 0.0 110.246 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.545 ' H ' ' HA ' ' A' ' 11' ' ' LYS . 5.7 tp10 -80.17 149.75 30.4 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.744 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.639 0.257 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.435 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 8.1 mpt_? -118.23 161.22 20.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.0 94.51 2.07 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.584 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 m-85 -121.51 79.07 1.5 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.584 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.33 170.48 9.57 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.205 0.526 . . . . 0.0 109.8 176.537 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 119.736 -0.174 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.706 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.433 0.635 . . . . 0.0 109.426 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.579 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.8 ttmp? . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.132 0.968 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.888 HG12 ' H ' ' A' ' 18' ' ' VAL . 30.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.888 ' H ' HG12 ' A' ' 15' ' ' VAL . 8.6 p -173.48 159.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.995 0.426 . . . . 0.0 111.373 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.547 ' N ' HG22 ' A' ' 18' ' ' VAL . 8.1 t -122.86 156.18 35.12 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.286 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.9 mt -110.67 126.34 68.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.55 ' C ' HE22 ' A' ' 10' ' ' GLN . 41.1 ttm180 -115.21 85.86 2.35 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.201 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 23' ' ' LYS . 47.3 mt-10 -159.91 168.6 25.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' ' 10' ' ' GLN . 2.8 mptp? . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 120.605 0.241 . . . . 0.0 111.416 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.093 0.473 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.518 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -110.28 147.35 34.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.537 ' CE2' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -147.79 109.46 4.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 176.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 59.4 t80 -75.44 164.8 26.0 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.714 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -52.71 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 113.521 -1.672 . . . . 0.0 113.231 178.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 4' ' ' TYR . 14.7 ptmm? . . . . . 0 N--CA 1.474 0.758 0 CA-C-N 119.347 0.976 . . . . 0.0 112.05 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.537 ' OE1' ' CE2' ' A' ' 3' ' ' PHE . 22.5 mt-30 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.244 0.792 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 6.4 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.785 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.343 0.592 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.505 ' HE ' ' HB ' ' A' ' 19' ' ' THR . 9.1 ttp-105 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.482 ' N ' ' N ' ' A' ' 17' ' ' GLY . 84.1 t . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.482 ' N ' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.483 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.62 HG22 ' N ' ' A' ' 19' ' ' THR . 7.5 p -173.45 165.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.792 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 19' ' ' THR . 10.2 t -108.11 89.51 3.02 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.947 0.403 . . . . 0.0 110.034 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -166.28 149.76 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.703 HH12 ' NZ ' ' A' ' 23' ' ' LYS . 8.4 ptm180 -155.72 157.97 37.46 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.915 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 10' ' ' GLN . 5.6 tp10 -159.5 156.36 28.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.703 ' NZ ' HH12 ' A' ' 21' ' ' ARG . 10.4 mptt . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 121.182 0.515 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -128.51 151.0 49.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.12 107.71 3.96 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.424 ' OH ' HD12 ' A' ' 13' ' ' ILE . 6.8 m-85 -117.79 133.03 56.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -134.65 131.94 38.36 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.56 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.765 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 2.7 tp-100 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.597 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.777 ' CD2' HG21 ' A' ' 19' ' ' THR . 13.2 m-30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.55 0.69 . . . . 0.0 111.452 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 13' ' ' ILE . 26.2 pt . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.984 0.897 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.632 ' NH2' ' O ' ' A' ' 15' ' ' VAL . 13.7 mmp_? . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' NH2' ' A' ' 14' ' ' ARG . 7.3 p . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.039 0.447 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 19' ' ' THR . 62.1 t -149.79 -108.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.777 HG21 ' CD2' ' A' ' 12' ' ' PHE . 63.8 m -149.75 153.98 37.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 0.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' PHE . 12.3 tt -109.3 134.24 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.185 0.517 . . . . 0.0 110.568 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HE ' ' CB ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -117.42 125.75 51.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.367 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -145.34 166.03 26.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.042 178.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.444 -0.758 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.072 -178.621 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.13 0.491 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -120.31 156.36 31.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.331 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.564 ' CD2' ' OE1' ' A' ' 10' ' ' GLN . 52.2 t80 -138.19 120.21 15.53 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -135.47 126.9 28.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.67 ' CA ' HE22 ' A' ' 10' ' ' GLN . 5.6 tp10 -159.99 146.96 16.24 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.898 0.856 . . . . 0.0 111.521 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.461 0.118 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.665 179.646 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.67 HE22 ' CA ' ' A' ' 5' ' ' GLU . 3.0 mm100 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 13' ' ' ILE . 67.9 mttm . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.507 ' HB2' ' HE ' ' A' ' 21' ' ' ARG . 15.3 m-30 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.237 0.541 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.993 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.469 0.482 0 CA-C-O 121.948 0.88 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.69 101.18 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 115.49 -0.355 . . . . 0.0 111.006 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.6 p -149.58 141.74 24.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.817 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.633 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 12.5 tt -172.83 119.75 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.923 0.392 . . . . 0.0 110.306 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.633 ' NH2' ' O ' ' A' ' 20' ' ' ILE . 13.6 mmp_? -106.87 124.13 49.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.015 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -112.45 131.26 55.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.175 0.512 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -122.83 155.51 36.46 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.676 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -151.72 112.51 4.22 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.817 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.436 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.9 m-85 -117.67 124.41 48.48 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.948 0.404 . . . . 0.0 110.989 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.661 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -106.22 127.43 53.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.392 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.56 ' NZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.964 0.888 . . . . 0.0 111.505 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.527 0.203 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' CD ' HH22 ' A' ' 21' ' ' ARG . 53.5 tt0 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HE3' HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.468 0.175 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.964 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 122.015 0.912 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.67 ' N ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.456 0.169 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.67 HG12 ' N ' ' A' ' 14' ' ' ARG . 48.5 t . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 CA-C-O 121.193 0.33 . . . . 0.0 113.251 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 33.5 m -131.83 -174.46 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 t -120.22 132.21 55.27 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.491 0.663 . . . . 0.0 111.657 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 tp -158.07 138.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.824 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 22' ' ' GLU . 33.0 tpt85 -123.12 100.55 6.93 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 17.9 tp10 -77.57 161.97 27.46 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 117.846 0.294 . . . . 0.0 110.385 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.422 ' HG2' HH12 ' A' ' 14' ' ' ARG . 16.6 pt-20 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 170.84 17.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.972 0.731 . . . . 0.0 112.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -152.59 126.75 9.15 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.102 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -122.75 131.64 53.87 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 0.0 111.108 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.79 150.08 2.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.784 HE22 ' HE ' ' A' ' 21' ' ' ARG . 73.9 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.212 0.529 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.761 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.205 0.526 . . . . 0.0 111.391 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.641 HH21 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.726 0.298 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.7 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.197 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 19' ' ' THR . 11.0 p -168.57 -174.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.2 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.851 ' H ' HG22 ' A' ' 18' ' ' VAL . 72.3 p -105.55 111.09 23.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.325 0.583 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 tt -149.36 131.98 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.895 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.784 ' HE ' HE22 ' A' ' 10' ' ' GLN . 8.6 ttm105 -109.02 119.55 39.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -166.3 173.23 10.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.029 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLU . 87.7 tttt . . . . . 0 N--CA 1.468 0.449 0 O-C-N 123.918 0.762 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.625 0.25 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -137.28 137.27 38.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 10' ' ' GLN . 1.1 t80 -151.12 93.17 1.89 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -122.37 115.19 21.86 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 6' ' ' LYS . 5.6 tp10 -171.87 165.98 6.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.724 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 14.7 ptmm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 9' ' ' VAL . 34.2 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.642 ' NE2' ' CE2' ' A' ' 3' ' ' PHE . 85.5 mt-30 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 C--O 1.233 0.189 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CD1' ' O ' ' A' ' 13' ' ' ILE 0.369 11.6 m-30 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.1 pp . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.604 ' CG2' ' H ' ' A' ' 19' ' ' THR . 34.7 m . . . . . 0 N--CA 1.461 0.125 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 18' ' ' VAL . 7.6 p -130.66 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.604 ' H ' ' CG2' ' A' ' 15' ' ' VAL . 7.0 t -172.09 -179.74 2.43 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 pt -130.47 167.42 25.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 122.589 1.185 . . . . 0.0 113.883 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.817 ' H ' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -155.2 93.95 1.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.313 -1.312 . . . . 0.0 113.865 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.485 ' CD ' ' NH2' ' A' ' 21' ' ' ARG . 5.1 mm-40 -141.65 -174.88 4.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.37 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.517 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.617 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -124.94 159.55 30.94 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.16 107.86 13.97 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.795 0.807 . . . . 0.0 110.407 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 41.6 t80 55.26 -128.34 2.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.206 -1.361 . . . . 0.0 114.281 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 55.8 mt-10 -151.82 170.83 18.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.191 0.52 . . . . 0.0 111.436 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 9' ' ' VAL . 8.3 p . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 121.305 0.574 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.535 ' OE1' ' CD2' ' A' ' 4' ' ' TYR . 70.8 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HZ2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.478 1.609 . . . . 0.0 114.663 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 14.0 m-30 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 122.231 1.015 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' CG ' ' OG1' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.778 HG12 ' H ' ' A' ' 19' ' ' THR . 58.5 t 47.23 -178.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.778 ' H ' HG12 ' A' ' 18' ' ' VAL . 86.7 m -111.77 125.44 54.0 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.354 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 pt -129.4 148.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -132.41 141.58 48.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 8.5 mp0 -104.83 157.21 17.36 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.583 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' GLN . 19.1 ptpt . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.718 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.403 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 16.5 pt-20 -159.61 -155.4 0.45 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.755 0.312 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -106.94 148.17 28.95 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CB ' ' CD2' ' A' ' 12' ' ' PHE . 49.8 t80 -148.16 122.21 9.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.841 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.462 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 42.2 t80 -130.28 106.42 8.56 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 69.3 mm-40 -142.71 149.55 38.94 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.382 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.794 0.33 . . . . 0.0 110.607 -179.706 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.427 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.427 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.7 t . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.659 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 11.6 mm100 . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 120.805 0.336 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 24' ' ' NH2 . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 2.9 m-85 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 14' ' ' ARG . 28.8 pt . . . . . 0 CA--C 1.533 0.302 0 CA-C-O 122.665 1.221 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.541 ' HD3' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 121.357 0.599 . . . . 0.0 112.596 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG13 ' C15' ' A' ' 16' ' ' 4FU . 34.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.395 0.14 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.465 ' O1 ' ' C15' ' A' ' 16' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' HA3' ' HE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG23 ' N ' ' A' ' 19' ' ' THR . 33.9 m -61.46 -132.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.496 ' N ' HG23 ' A' ' 18' ' ' VAL . 82.4 p -130.98 150.09 52.29 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.908 0.385 . . . . 0.0 111.298 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tp -157.41 153.09 6.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.665 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' HD2' ' H ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -140.79 144.5 35.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.271 0.558 . . . . 0.0 111.813 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 0.4 OUTLIER -170.99 162.02 7.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.109 179.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 32.28 27.71 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.525 0.516 . . . . 0.0 111.67 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.659 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.299 -1.613 0 O-C-N 120.07 -1.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.918 ' H1 ' ' NE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.465 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 16.7 pt-20 -173.35 -147.04 0.04 OUTLIER 'General case' 0 C--O 1.246 0.892 0 CA-C-O 121.569 0.7 . . . . 0.0 112.011 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.7 129.31 45.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.392 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 36.7 t80 -172.77 -176.0 1.39 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' N ' ' CG ' ' A' ' 3' ' ' PHE . 6.3 m-85 64.93 119.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 1.7 mp0 -128.4 -97.36 0.39 Allowed 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.615 0.721 . . . . 0.0 111.38 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.513 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.513 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 22' ' ' GLU . 60.8 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 4.2 tp-100 . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' HD2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 122.845 1.307 . . . . 0.0 114.27 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CE1' HG23 ' A' ' 19' ' ' THR . 4.9 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.895 0.379 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 27.5 pt . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.835 0.826 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.918 ' NE ' ' H1 ' ' A' ' 0' ' ' ACE . 22.6 mmt85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.644 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.4 m . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.486 ' C15' HG13 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.48 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.819 HG22 ' NH1' ' A' ' 21' ' ' ARG . 73.7 m -106.57 106.08 16.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.192 0.52 . . . . 0.0 110.441 -178.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' O ' ' O ' ' A' ' 12' ' ' PHE . 75.3 mt -136.98 138.92 45.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.819 ' NH1' HG22 ' A' ' 19' ' ' THR . 9.0 mpt_? -105.7 130.21 53.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.899 0.38 . . . . 0.0 110.246 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' H ' ' HA ' ' A' ' 11' ' ' LYS . 5.7 tp10 -80.17 149.75 30.4 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.744 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.12 106.67 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -178.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.577 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 57.62 -116.98 0.97 Allowed 'General case' 0 C--O 1.235 0.33 0 O-C-N 123.136 0.273 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.435 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 8.1 mpt_? -118.23 161.22 20.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.0 94.51 2.07 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.584 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 8.6 m-85 -121.51 79.07 1.5 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.584 ' OE1' ' C ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -121.33 170.48 9.57 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.205 0.526 . . . . 0.0 109.8 176.537 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.453 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.4 t . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 119.736 -0.174 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.706 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.433 0.635 . . . . 0.0 109.426 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.579 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.8 ttmp? . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 122.132 0.968 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.888 HG12 ' H ' ' A' ' 18' ' ' VAL . 30.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.43 ' C12' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.888 ' H ' HG12 ' A' ' 15' ' ' VAL . 8.6 p -173.48 159.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.995 0.426 . . . . 0.0 111.373 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.547 ' N ' HG22 ' A' ' 18' ' ' VAL . 8.1 t -122.86 156.18 35.12 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.286 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.9 mt -110.67 126.34 68.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' C ' HE22 ' A' ' 10' ' ' GLN . 41.1 ttm180 -115.21 85.86 2.35 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.201 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 23' ' ' LYS . 47.3 mt-10 -159.91 168.6 25.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' ' 10' ' ' GLN . 2.8 mptp? 54.55 129.39 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.543 0 CA-C-O 120.605 0.241 . . . . 0.0 111.416 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.301 -1.528 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.74 -165.14 0.33 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.093 0.473 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.518 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -110.28 147.35 34.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.537 ' CE2' ' OE1' ' A' ' 10' ' ' GLN . 1.0 OUTLIER -147.79 109.46 4.41 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 176.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 59.4 t80 -75.44 164.8 26.0 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.714 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -52.71 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 113.521 -1.672 . . . . 0.0 113.231 178.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 4' ' ' TYR . 14.7 ptmm? . . . . . 0 N--CA 1.474 0.758 0 CA-C-N 119.347 0.976 . . . . 0.0 112.05 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.467 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.467 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.609 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 22.5 mt-30 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.244 0.792 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 6.4 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.785 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.343 0.592 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.505 ' HE ' ' HB ' ' A' ' 19' ' ' THR . 9.1 ttp-105 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' OAB' ' A' ' 16' ' ' 4FU . 84.1 t . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.545 ' OAB' HG23 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.515 ' N ' ' C15' ' A' ' 16' ' ' 4FU . . . . . . . . 0 N--CA 1.463 0.483 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.62 HG22 ' N ' ' A' ' 19' ' ' THR . 7.5 p -173.45 165.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.792 176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 19' ' ' THR . 10.2 t -108.11 89.51 3.02 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.947 0.403 . . . . 0.0 110.034 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -166.28 149.76 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.633 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.703 HH12 ' NZ ' ' A' ' 23' ' ' LYS . 8.4 ptm180 -155.72 157.97 37.46 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.915 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 10' ' ' GLN . 5.6 tp10 -159.5 156.36 28.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.703 ' NZ ' HH12 ' A' ' 21' ' ' ARG . 10.4 mptt -91.84 35.65 0.97 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.609 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.588 ' H1 ' ' HD2' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -162.63 -132.35 0.02 OUTLIER 'General case' 0 C--O 1.246 0.918 0 CA-C-O 121.182 0.515 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -128.51 151.0 49.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.12 107.71 3.96 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.424 ' OH ' HD12 ' A' ' 13' ' ' ILE . 6.8 m-85 -117.79 133.03 56.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -134.65 131.94 38.36 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.56 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.765 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.464 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.482 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 8' ' ' DPR . 58.5 t . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 2.7 tp-100 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.597 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 109.952 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.777 ' CD2' HG21 ' A' ' 19' ' ' THR . 13.2 m-30 . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.55 0.69 . . . . 0.0 111.452 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 13' ' ' ILE . 26.2 pt . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.984 0.897 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.632 ' NH2' ' O ' ' A' ' 15' ' ' VAL . 13.7 mmp_? . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' ' NH2' ' A' ' 14' ' ' ARG . 7.3 p . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.039 0.447 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.539 ' OAB' ' N ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.539 ' N ' ' OAB' ' A' ' 16' ' ' 4FU . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 19' ' ' THR . 62.1 t -149.79 -108.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.777 HG21 ' CD2' ' A' ' 12' ' ' PHE . 63.8 m -149.75 153.98 37.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 0.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' PHE . 12.3 tt -109.3 134.24 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.185 0.517 . . . . 0.0 110.568 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HE ' ' CB ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -117.42 125.75 51.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.367 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' OE1' ' N ' ' A' ' 24' ' ' NH2 . 0.5 OUTLIER -145.34 166.03 26.74 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.042 178.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -78.68 48.9 0.84 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.072 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.597 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.3 -1.555 0 O-C-N 120.449 -1.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -159.63 173.97 15.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.13 0.491 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -120.31 156.36 31.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.331 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.564 ' CD2' ' OE1' ' A' ' 10' ' ' GLN . 52.2 t80 -138.19 120.21 15.53 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -135.47 126.9 28.59 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.67 ' CA ' HE22 ' A' ' 10' ' ' GLN . 5.6 tp10 -159.99 146.96 16.24 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.898 0.856 . . . . 0.0 111.521 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 N--CA 1.461 0.118 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.665 179.646 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.443 ' CAB' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.443 ' O ' ' CAB' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 119.619 -0.229 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.67 HE22 ' CA ' ' A' ' 5' ' ' GLU . 3.0 mm100 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HE2' HD13 ' A' ' 13' ' ' ILE . 67.9 mttm . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.507 ' HB2' ' HE ' ' A' ' 21' ' ' ARG . 15.3 m-30 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.237 0.541 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.993 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.469 0.482 0 CA-C-O 121.948 0.88 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.697 ' OAB' HG13 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.69 101.18 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 115.49 -0.355 . . . . 0.0 111.006 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.6 p -149.58 141.74 24.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.817 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.633 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 12.5 tt -172.83 119.75 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.923 0.392 . . . . 0.0 110.306 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.633 ' NH2' ' O ' ' A' ' 20' ' ' ILE . 13.6 mmp_? -106.87 124.13 49.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.015 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -112.45 131.26 55.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -82.26 113.08 19.83 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -178.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.447 -1.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -87.64 140.06 29.9 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.175 0.512 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -122.83 155.51 36.46 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.676 -178.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.525 ' CD1' ' OE1' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -151.72 112.51 4.22 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.817 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.436 ' C ' ' OE1' ' A' ' 5' ' ' GLU . 6.9 m-85 -117.67 124.41 48.48 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.948 0.404 . . . . 0.0 110.989 176.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -106.22 127.43 53.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.392 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' HB2' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.964 0.888 . . . . 0.0 111.505 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.527 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.527 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.527 0.203 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.617 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 53.5 tt0 . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HE3' HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.468 0.175 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.964 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 122.015 0.912 . . . . 0.0 113.162 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.67 ' N ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.456 0.169 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG12 ' N ' ' A' ' 14' ' ' ARG . 48.5 t . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.472 ' O1 ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.472 ' O ' ' O1 ' ' A' ' 16' ' ' 4FU . . . . . . . . 0 CA--C 1.53 1.029 0 CA-C-O 121.193 0.33 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 33.5 m -131.83 -174.46 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 t -120.22 132.21 55.27 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.491 0.663 . . . . 0.0 111.657 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 tp -158.07 138.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.824 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 22' ' ' GLU . 33.0 tpt85 -123.12 100.55 6.93 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' NH1' ' A' ' 21' ' ' ARG . 17.9 tp10 -77.57 161.97 27.46 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' H ' ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -141.48 37.74 1.68 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 117.846 0.294 . . . . 0.0 110.385 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.617 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 120.294 -1.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.422 ' HG2' HH12 ' A' ' 14' ' ' ARG . 16.6 pt-20 -156.01 173.58 16.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 170.84 17.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.972 0.731 . . . . 0.0 112.972 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -152.59 126.75 9.15 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.102 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -122.75 131.64 53.87 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 0.0 111.108 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.79 150.08 2.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.447 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.447 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' DPR . 59.7 t . . . . . 0 CA--C 1.528 0.133 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.784 HE22 ' HE ' ' A' ' 21' ' ' ARG . 73.9 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 121.212 0.529 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.761 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.205 0.526 . . . . 0.0 111.391 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.641 HH21 ' CG2' ' A' ' 19' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.726 0.298 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 15' ' ' VAL . 27.7 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.33 0.122 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.572 ' OAB' HG13 ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.525 ' O ' ' O1 ' ' A' ' 16' ' ' 4FU . . . . . . . . 0 CA--C 1.517 0.197 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 19' ' ' THR . 11.0 p -168.57 -174.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.2 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.851 ' H ' HG22 ' A' ' 18' ' ' VAL . 72.3 p -105.55 111.09 23.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.325 0.583 . . . . 0.0 110.755 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 tt -149.36 131.98 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.186 -0.915 . . . . 0.0 108.895 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.784 ' HE ' HE22 ' A' ' 10' ' ' GLN . 8.6 ttm105 -109.02 119.55 39.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -166.3 173.23 10.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.029 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' GLU . 87.7 tttt -24.23 140.6 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.918 0.762 . . . . 0.0 111.754 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.601 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.302 -1.489 0 O-C-N 120.335 -1.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.898 ' H1 ' ' HE ' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.85 -41.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.625 0.25 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -137.28 137.27 38.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 10' ' ' GLN . 1.1 t80 -151.12 93.17 1.89 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 119.43 -0.908 . . . . 0.0 111.163 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -122.37 115.19 21.86 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 6' ' ' LYS . 5.6 tp10 -171.87 165.98 6.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.724 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 14.7 ptmm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 9' ' ' VAL . 34.2 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.642 ' NE2' ' CE2' ' A' ' 3' ' ' PHE . 85.5 mt-30 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm . . . . . 0 C--O 1.233 0.189 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CD1' ' O ' ' A' ' 13' ' ' ILE 0.369 11.6 m-30 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.887 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.1 pp . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.898 ' HE ' ' H1 ' ' A' ' 0' ' ' ACE . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.604 ' CG2' ' H ' ' A' ' 19' ' ' THR . 34.7 m . . . . . 0 N--CA 1.461 0.125 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.528 ' C7 ' ' N ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 18' ' ' VAL . 7.6 p -130.66 81.21 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.604 ' H ' ' CG2' ' A' ' 15' ' ' VAL . 7.0 t -172.09 -179.74 2.43 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 pt -130.47 167.42 25.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 122.589 1.185 . . . . 0.0 113.883 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.817 ' H ' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -155.2 93.95 1.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.313 -1.312 . . . . 0.0 113.865 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' CD ' ' NH2' ' A' ' 21' ' ' ARG . 5.1 mm-40 -141.65 -174.88 4.18 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.37 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.69 30.42 18.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.617 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.602 ' N ' ' N ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.674 0 O-C-N 120.655 -1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -138.93 136.46 35.48 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -124.94 159.55 30.94 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -119.16 107.86 13.97 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.795 0.807 . . . . 0.0 110.407 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' CG ' ' N ' ' A' ' 5' ' ' GLU . 41.6 t80 55.26 -128.34 2.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.206 -1.361 . . . . 0.0 114.281 177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.603 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 55.8 mt-10 -151.82 170.83 18.83 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.191 0.52 . . . . 0.0 111.436 -176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.597 ' NAC' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.597 ' O ' ' NAC' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 9' ' ' VAL . 8.3 p . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 121.305 0.574 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 70.8 tp60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HZ2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 123.478 1.609 . . . . 0.0 114.663 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 22' ' ' GLU . 14.0 m-30 . . . . . 0 N--CA 1.467 0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 122.231 1.015 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' CG ' ' OG1' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' C15' ' A' ' 16' ' ' 4FU . 64.6 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' 4FU . . . . . 0.56 ' C7 ' ' H ' ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.778 HG12 ' H ' ' A' ' 19' ' ' THR . 58.5 t 47.23 -178.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.778 ' H ' HG12 ' A' ' 18' ' ' VAL . 86.7 m -111.77 125.44 54.0 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.354 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.5 pt -129.4 148.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -132.41 141.58 48.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 8.5 mp0 -104.83 157.21 17.36 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.583 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' GLN . 19.1 ptpt -108.05 139.91 42.0 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.718 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.578 ' N ' ' O ' ' A' ' 10' ' ' GLN . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_