data_2fbs_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 2fbs _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' N' ' 3' ' ' ARG . 11.8 mpt_? -74.5 -44.3 52.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 pt -72.26 -33.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -70.0 -27.83 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.12 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -63.77 -40.87 97.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.439 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -65.31 -34.83 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.476 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 42.1 mm -63.51 -51.44 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.456 ' NZ ' HH21 ' N' ' 13' ' ' ARG . 0.4 OUTLIER -55.25 -32.92 62.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.132 0.492 . . . . 0.0 110.009 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.82 -25.74 61.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.083 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.77 -51.61 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.197 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.589 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -74.26 -36.12 63.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.327 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.656 ' HG3' HH11 ' N' ' 13' ' ' ARG . 1.3 ttm-85 . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 38.2 tttm . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -75.39 -45.04 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -31.49 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.165 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 t -71.32 -27.69 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . 0.481 HE21 ' CD ' ' N' ' 9' ' ' LYS . 1.2 tp60 -58.42 -45.02 89.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.216 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . 0.656 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.16 -44.61 94.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.658 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.472 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 19.1 mm -62.29 -51.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.481 ' CD ' HE21 ' N' ' 6' ' ' GLN . 0.1 OUTLIER -58.4 -31.53 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.599 -0.441 . . . . 0.0 109.955 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.016 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.97 -52.32 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.112 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.548 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -75.13 -36.95 61.58 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.477 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 CA--C 1.517 -0.319 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.56 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.671 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.2 mtt-85 -63.28 -48.23 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.4 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.171 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.24 -30.06 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.346 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -31.75 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.091 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . 0.646 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.75 -31.81 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 84.1 mt -59.62 -36.85 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.232 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -74.1 -43.57 57.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.23 -26.02 67.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.974 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.22 -49.53 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.584 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.634 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -73.55 -48.4 33.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.76 -48.21 82.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.208 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.07 -42.45 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.161 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.27 -29.5 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.601 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -65.19 -38.51 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . 0.633 HH11 ' CB ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -59.77 -49.37 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.5 mp -62.5 -36.81 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.239 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -73.82 -43.47 58.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 0.0 110.077 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.41 -25.95 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.031 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.44 -49.37 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.529 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.618 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -74.08 -49.25 24.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.67 HH11 ' CG ' ' N' ' 13' ' ' ARG . 3.6 mtt-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -71.62 -48.1 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pt -70.52 -31.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.48 -27.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -68.12 -45.02 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . 0.608 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.63 -40.47 80.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.271 -179.337 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' N' ' 9' ' ' LYS . 1.0 OUTLIER -61.35 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.317 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 28.0 mmtm -52.3 -34.81 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.87 0.366 . . . . 0.0 110.158 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.04 -25.86 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -73.15 -52.35 14.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.955 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.566 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -73.83 -35.18 64.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.141 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.654 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.451 ' CA ' ' HE ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -68.8 -48.22 64.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.988 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -31.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.244 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.63 -27.92 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.2 -45.21 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.59 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tp -59.81 -34.43 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.416 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -73.81 -46.72 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -58.36 -25.57 62.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.086 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -62.09 -51.74 66.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.678 -179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.636 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.6 -42.92 60.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.489 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.61 0.243 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -65.85 -42.74 90.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.839 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 tt -72.48 -42.37 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.845 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 t -67.82 -27.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -60.38 -29.78 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.76 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.58 -38.52 81.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.005 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 mm -66.76 -31.44 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.849 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -74.28 -48.85 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.02 -25.88 46.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.131 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -61.3 -50.71 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.518 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.637 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -74.67 -40.94 61.12 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.667 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.464 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . 0.487 ' CB ' ' HZ2' ' N' ' 2' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.841 0.353 . . . . 0.0 110.47 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' N' ' 4' ' ' ILE . 1.4 ptm180 -59.34 -48.62 80.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.421 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . 0.485 ' H ' ' HG3' ' N' ' 3' ' ' ARG . 56.0 mt -61.76 -34.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -78.09 -28.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . 0.589 HE21 ' CA ' ' N' ' 6' ' ' GLN . 0.0 OUTLIER -76.17 -24.73 54.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.352 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.14 -39.73 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.551 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 tp -65.98 -40.57 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.297 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 41.1 mttp -73.71 -43.66 58.6 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' N' ' 10' ' ' ASP . 5.1 t70 -60.28 -25.61 65.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.88 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 1.1 t80 -63.28 -52.53 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.821 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.635 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -75.81 -37.6 58.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.8 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 . . . . . 0 CA--C 1.514 -0.436 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.629 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . 0.538 ' N ' ' CD ' ' N' ' 2' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -72.16 -47.94 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 pt -71.05 -32.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.185 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.26 -28.75 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.913 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' N' ' 10' ' ' ASP . 5.6 tp-100 -61.03 -45.54 94.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . 0.476 ' CA ' ' HE ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -63.39 -48.47 77.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.965 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.616 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 87.2 mt -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.626 ' HZ1' ' CB ' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.76 -35.3 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' N' ' 6' ' ' GLN . 13.8 t70 -65.58 -25.74 67.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.942 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.14 -52.05 60.95 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.514 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.694 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -67.38 -30.42 70.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 11.9 ptp180 -73.38 -45.37 55.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.888 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . 0.427 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -71.0 -32.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.976 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.36 -27.98 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.921 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . 0.612 ' NE2' ' NZ ' ' N' ' 9' ' ' LYS . 0.2 OUTLIER -62.72 -33.41 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.124 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -73.46 -30.75 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.009 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 58.1 mt -62.57 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.612 ' NZ ' ' NE2' ' N' ' 6' ' ' GLN . 6.2 ptpt -70.27 -43.69 69.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.278 0.561 . . . . 0.0 109.603 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' N' ' 9' ' ' LYS . 14.2 t70 -59.06 -25.78 64.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.208 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -65.05 -53.12 50.75 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.545 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.689 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -68.04 -28.37 67.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.823 0.344 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.663 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.7 mtt-85 -71.81 -48.2 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 7.2 pt -70.57 -31.82 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.23 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.85 -27.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.178 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -66.18 -45.11 82.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -55.69 -32.98 63.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.075 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' N' ' 9' ' ' LYS . 0.9 OUTLIER -61.68 -48.38 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.593 -179.486 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.495 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 9.7 mtmt -52.43 -29.3 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.889 0.376 . . . . 0.0 110.044 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -76.0 -26.13 56.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.904 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -74.28 -52.45 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.833 179.711 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.558 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -76.19 -34.16 59.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.45 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.8 0.333 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.637 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.1 OUTLIER -71.89 -41.19 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . 0.417 ' H ' HD13 ' N' ' 4' ' ' ILE . 4.9 mp -72.81 -34.54 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -70.22 -27.48 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -39.73 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -37.33 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.621 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tt -70.03 -37.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.729 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -73.58 -39.37 64.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.033 0.445 . . . . 0.0 109.992 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -62.05 -25.67 67.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.151 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.79 -52.54 56.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 -179.153 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.691 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.39 -28.96 67.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.691 0.281 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -65.91 -48.84 70.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.355 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -33.76 65.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -66.36 -33.72 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.139 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.17 -43.76 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.67 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -52.63 -46.93 67.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.175 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 2.3 mp -61.54 -50.09 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -52.62 -28.69 22.36 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.135 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.28 -26.23 55.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.183 0.516 . . . . 0.0 109.86 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -67.73 -48.14 67.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.627 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.23 -44.62 59.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.696 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.66 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 9.4 ptm180 -73.59 -44.14 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . 0.401 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 5.8 pt -73.44 -34.91 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.915 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.19 -27.74 38.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.674 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' N' ' 10' ' ' ASP . 0.4 OUTLIER -58.26 -45.11 88.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.228 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' N' ' 7' ' ' ARG . 3.6 mtt-85 -55.42 -50.96 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 30.2 mm -63.92 -40.92 90.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -36.53 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' N' ' 6' ' ' GLN . 7.0 t70 -65.26 -24.84 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -66.61 -52.96 39.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.124 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.646 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.36 -32.12 64.33 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 . . . . . 0 CA--C 1.516 -0.343 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.118 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.47 -48.18 82.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.45 -31.59 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.231 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.59 -27.54 23.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.017 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' N' ' 6' ' ' GLN . 0.0 OUTLIER -66.0 -45.14 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.782 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -56.13 -30.7 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.431 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 29.7 mt -65.91 -50.42 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.266 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -57.84 -31.34 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -72.95 -25.82 61.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -70.44 -51.84 26.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.151 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.539 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.8 mm? -75.12 -37.37 61.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.485 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.679 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.808 0.337 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.658 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -74.79 -42.4 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.29 -31.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.968 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.32 -28.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.876 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -45.7 86.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.588 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.72 -34.34 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.569 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 77.6 mt -74.42 -40.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.375 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.634 ' HZ3' ' CB ' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.91 -36.19 64.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.42 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.76 -25.7 67.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.597 . . . . 0.0 109.807 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -64.15 -52.13 60.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.703 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.638 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -74.93 -40.7 60.67 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.499 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.76 0.314 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.571 ' NE ' ' O ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -73.84 -46.31 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.87 -31.45 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -71.97 -27.3 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.342 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -68.3 -45.19 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.62 -35.19 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.624 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 75.6 mt -65.13 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.117 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -74.33 -43.36 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -60.46 -26.94 67.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.088 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.3 OUTLIER -59.24 -50.74 72.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.708 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.52 -22.47 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -48.74 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.062 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . 0.411 HG13 ' N ' ' N' ' 5' ' ' VAL . 17.7 pt -67.23 -41.48 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.486 . . . . 0.0 109.82 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . 0.411 ' N ' HG13 ' N' ' 4' ' ' ILE . 75.0 t -58.91 -29.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.14 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -65.0 -45.32 86.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -55.8 -43.25 76.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.457 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 2.4 mp -62.46 -50.34 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.193 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.41 -31.93 68.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.411 . . . . 0.0 110.054 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.9 -25.69 61.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.972 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -69.88 -51.94 28.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.184 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.556 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -75.31 -37.74 60.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.583 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.629 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 tttm . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.837 0.351 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -73.58 -45.3 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.75 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 pt -72.36 -33.45 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.96 -27.26 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.853 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.42 -45.42 93.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.025 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.11 -33.69 65.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.44 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.512 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 33.1 mm -69.22 -51.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . 0.59 ' HZ3' ' CB ' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -55.58 -32.38 63.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.575 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.09 -25.43 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.182 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -71.98 -51.72 20.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.823 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.656 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -70.48 -30.02 66.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.397 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.663 HH11 ' CG ' ' N' ' 13' ' ' ARG . 3.6 mtt-85 . . . . . 0 CA--C 1.515 -0.368 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' N' N ' 3' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 6.7 ptm180 -72.33 -46.01 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.921 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' N' N ' 4' ' ' ILE . . . . . 0.445 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 7.6 pt -71.49 -34.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.12 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.98 -27.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -58.93 -42.72 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 7' ' ' ARG . . . . . 0.659 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -52.15 -32.42 35.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.364 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' N' N ' 8' ' ' ILE . . . . . 0.488 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 20.9 mm -68.65 -50.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.249 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -57.55 -30.23 65.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 109.954 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.25 -25.33 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.059 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -69.48 -49.88 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' N' N ' 12' ' ' LEU . . . . . 0.613 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -72.46 -39.42 67.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' N' N ' 13' ' ' ARG . . . . . 0.703 HH11 ' CB ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.446 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 67.7 t80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -29.03 57.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.232 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' N' ' 3' ' ' ARG . 11.8 mpt_? -74.5 -44.3 52.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 pt -72.26 -33.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 41.9 t -70.0 -27.83 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.12 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -63.77 -40.87 97.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.439 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -65.31 -34.83 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.476 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 42.1 mm -63.51 -51.44 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.456 ' NZ ' HH21 ' N' ' 13' ' ' ARG . 0.4 OUTLIER -55.25 -32.92 62.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.132 0.492 . . . . 0.0 110.009 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.734 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 10.3 t70 -72.82 -25.74 61.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.77 -51.61 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.197 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.589 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -74.26 -36.12 63.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.327 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.656 ' HG3' HH11 ' N' ' 13' ' ' ARG . 1.3 ttm-85 -117.33 -24.4 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.734 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -68.0 -29.87 68.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.332 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -75.39 -45.04 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -31.49 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.165 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 t -71.32 -27.69 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . 0.481 HE21 ' CD ' ' N' ' 9' ' ' LYS . 1.2 tp60 -58.42 -45.02 89.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.216 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . 0.656 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.16 -44.61 94.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.658 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.472 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 19.1 mm -62.29 -51.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.481 ' CD ' HE21 ' N' ' 6' ' ' GLN . 0.1 OUTLIER -58.4 -31.53 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.599 -0.441 . . . . 0.0 109.955 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 25.1 t0 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.016 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.97 -52.32 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.112 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.548 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -75.13 -36.95 61.58 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.477 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.29 1.83 6.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.724 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.584 0 O-C-N 120.511 -1.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.589 ' CE2' ' CG2' ' N' ' 5' ' ' VAL . 43.5 t80 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -55.95 -37.72 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.671 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.2 mtt-85 -63.28 -48.23 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.4 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.171 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.589 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 74.1 t -74.24 -30.06 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.346 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -31.75 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.091 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . 0.646 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.75 -31.81 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 84.1 mt -59.62 -36.85 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.232 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -74.1 -43.57 57.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.75 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 34.9 t70 -61.23 -26.02 67.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.974 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.22 -49.53 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.584 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.634 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -73.55 -48.4 33.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -117.95 -15.42 9.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.75 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 120.617 -1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -56.29 -39.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.76 -48.21 82.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.208 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.07 -42.45 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.161 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.27 -29.5 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.601 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -65.19 -38.51 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . 0.633 HH11 ' CB ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -59.77 -49.37 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.5 mp -62.5 -36.81 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.239 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -73.82 -43.47 58.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 0.0 110.077 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.764 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 18.6 t70 -61.41 -25.95 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.031 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.44 -49.37 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.529 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.618 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -74.08 -49.25 24.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.67 HH11 ' CG ' ' N' ' 13' ' ' ARG . 3.6 mtt-85 -124.38 2.73 8.43 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.764 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.477 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 66.0 t80 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -73.43 -28.38 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.031 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -71.62 -48.1 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pt -70.52 -31.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 54.7 t -71.48 -27.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -68.12 -45.02 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . 0.608 ' CG ' HH11 ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.63 -40.47 80.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.271 -179.337 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' N' ' 9' ' ' LYS . 1.0 OUTLIER -61.35 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.317 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 28.0 mmtm -52.3 -34.81 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.87 0.366 . . . . 0.0 110.158 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.731 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 12.9 t0 -71.04 -25.86 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -73.15 -52.35 14.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.955 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.566 ' H ' ' CD2' ' N' ' 12' ' ' LEU . 1.7 mm? -73.83 -35.18 64.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.141 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.654 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -118.7 -20.31 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.63 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.731 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.479 ' CZ ' ' CG2' ' N' ' 5' ' ' VAL . 29.9 t80 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -76.19 -28.63 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.451 ' CA ' ' HE ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -68.8 -48.22 64.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.988 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -31.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.244 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.479 ' CG2' ' CZ ' ' N' ' 1' ' ' PHE . 58.4 t -70.63 -27.92 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.2 -45.21 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.59 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tp -59.81 -34.43 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.416 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -73.81 -46.72 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 33.6 t0 -58.36 -25.57 62.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.086 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -62.09 -51.74 66.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.678 -179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.636 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.6 -42.92 60.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.792 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.705 0 O-C-N 120.7 -1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' N' ' 5' ' ' VAL . 23.4 t80 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . 0.477 ' H ' ' H1 ' ' N' ' 1' ' ' PHE . 51.1 mmtt -76.5 -37.6 56.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -65.85 -42.74 90.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.839 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 tt -72.48 -42.37 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.845 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.579 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 29.8 t -67.82 -27.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -60.38 -29.78 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.76 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.58 -38.52 81.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.005 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 mm -66.76 -31.44 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.849 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -74.28 -48.85 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 19.4 t70 -56.02 -25.88 46.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.131 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.491 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -61.3 -50.71 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.518 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.637 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -74.67 -40.94 61.12 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.667 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.3 OUTLIER -112.68 -30.45 7.08 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.743 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.807 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.649 0 O-C-N 120.753 -1.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.459 ' H3 ' ' H ' ' N' ' 2' ' ' LYS . 41.0 t80 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . 0.487 ' CB ' ' HZ2' ' N' ' 2' ' ' LYS . 0.6 OUTLIER -72.38 -47.07 52.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' N' ' 4' ' ' ILE . 1.4 ptm180 -59.34 -48.62 80.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.421 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.485 ' H ' ' HG3' ' N' ' 3' ' ' ARG . 56.0 mt -61.76 -34.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.434 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 45.8 t -78.09 -28.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . 0.589 HE21 ' CA ' ' N' ' 6' ' ' GLN . 0.0 OUTLIER -76.17 -24.73 54.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.352 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.14 -39.73 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.551 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 tp -65.98 -40.57 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.297 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 41.1 mttp -73.71 -43.66 58.6 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.781 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 5.1 t70 -60.28 -25.61 65.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.88 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 1.1 t80 -63.28 -52.53 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.821 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.635 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -75.81 -37.6 58.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.8 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -113.54 -29.41 7.18 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.781 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.674 0 O-C-N 120.707 -1.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.463 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 49.4 t80 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . 0.538 ' N ' ' CD ' ' N' ' 2' ' ' LYS . 0.9 OUTLIER -74.51 -28.85 61.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -72.16 -47.94 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 pt -71.05 -32.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.185 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 39.6 t -69.26 -28.75 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.913 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' N' ' 10' ' ' ASP . 5.6 tp-100 -61.03 -45.54 94.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . 0.476 ' CA ' ' HE ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -63.39 -48.47 77.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.965 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.616 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 87.2 mt -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.626 ' HZ1' ' CB ' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.76 -35.3 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.768 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 13.8 t70 -65.58 -25.74 67.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.942 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.14 -52.05 60.95 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.514 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.694 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -67.38 -30.42 70.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.24 20.53 10.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.768 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 120.607 -1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.424 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 45.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -76.25 -28.81 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 11.9 ptp180 -73.38 -45.37 55.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.888 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.427 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -71.0 -32.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.976 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 48.1 t -71.36 -27.98 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.921 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . 0.612 ' NE2' ' NZ ' ' N' ' 9' ' ' LYS . 0.2 OUTLIER -62.72 -33.41 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.124 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -73.46 -30.75 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.009 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 58.1 mt -62.57 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.612 ' NZ ' ' NE2' ' N' ' 6' ' ' GLN . 6.2 ptpt -70.27 -43.69 69.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.278 0.561 . . . . 0.0 109.603 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.745 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 14.2 t70 -59.06 -25.78 64.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.208 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -65.05 -53.12 50.75 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.545 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.689 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -68.04 -28.37 67.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -121.06 21.67 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.745 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 120.668 -1.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.47 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 54.0 t80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -73.99 -28.64 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.364 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.663 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.7 mtt-85 -71.81 -48.2 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 7.2 pt -70.57 -31.82 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.23 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 53.9 t -70.85 -27.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -66.18 -45.11 82.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -55.69 -32.98 63.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.075 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' N' ' 9' ' ' LYS . 0.9 OUTLIER -61.68 -48.38 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.593 -179.486 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.495 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 9.7 mtmt -52.43 -29.3 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.889 0.376 . . . . 0.0 110.044 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 13.7 t70 -76.0 -26.13 56.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.904 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -74.28 -52.45 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.833 179.711 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.558 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -76.19 -34.16 59.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -125.08 -4.31 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.684 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.574 0 O-C-N 120.531 -1.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . . . . . . . . . 52.1 t80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -60.62 -36.11 77.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.637 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.1 OUTLIER -71.89 -41.19 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.417 ' H ' HD13 ' N' ' 4' ' ' ILE . 4.9 mp -72.81 -34.54 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -70.22 -27.48 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -39.73 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -37.33 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.621 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tt -70.03 -37.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.729 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -73.58 -39.37 64.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.033 0.445 . . . . 0.0 109.992 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.75 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 47.5 t0 -62.05 -25.67 67.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.151 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.79 -52.54 56.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 -179.153 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.691 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.39 -28.96 67.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -122.16 20.91 10.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.503 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.75 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.572 0 O-C-N 120.608 -1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.446 ' O ' HG21 ' N' ' 4' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -63.21 -28.64 70.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.764 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -65.91 -48.84 70.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.355 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.446 HG21 ' O ' ' N' ' 1' ' ' PHE . 0.0 OUTLIER -65.96 -33.76 65.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -66.36 -33.72 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.139 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.17 -43.76 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.67 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -52.63 -46.93 67.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.175 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 2.3 mp -61.54 -50.09 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -52.62 -28.69 22.36 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.135 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.735 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 32.7 t70 -76.28 -26.23 55.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.183 0.516 . . . . 0.0 109.86 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -67.73 -48.14 67.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.627 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.23 -44.62 59.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.696 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.66 HH11 ' CG ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -121.09 -11.46 8.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.716 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.735 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.63 -1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.433 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 77.1 t80 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -76.29 -28.66 57.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.246 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 9.4 ptm180 -73.59 -44.14 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.401 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 5.8 pt -73.44 -34.91 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.915 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 39.7 t -68.19 -27.74 38.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.674 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' N' ' 10' ' ' ASP . 0.4 OUTLIER -58.26 -45.11 88.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.228 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' N' ' 7' ' ' ARG . 3.6 mtt-85 -55.42 -50.96 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 30.2 mm -63.92 -40.92 90.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -36.53 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.826 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 7.0 t70 -65.26 -24.84 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -66.61 -52.96 39.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.124 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.646 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.36 -32.12 64.33 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -120.9 8.93 10.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.826 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.658 0 O-C-N 120.541 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.547 ' CE2' ' CG2' ' N' ' 5' ' ' VAL . 40.3 t80 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.87 -34.84 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.47 -48.18 82.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.45 -31.59 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.231 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.547 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 67.4 t -73.59 -27.54 23.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.017 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' N' ' 6' ' ' GLN . 0.0 OUTLIER -66.0 -45.14 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.782 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -56.13 -30.7 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.431 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 29.7 mt -65.91 -50.42 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.266 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -57.84 -31.34 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.717 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 50.1 t0 -72.95 -25.82 61.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -70.44 -51.84 26.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.151 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.539 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.8 mm? -75.12 -37.37 61.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.485 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -120.38 -14.31 8.74 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.717 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.641 0 O-C-N 120.633 -1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.5 ' CE2' ' CG2' ' N' ' 5' ' ' VAL . 42.9 t80 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . 0.401 ' H ' ' H3 ' ' N' ' 1' ' ' PHE . 19.9 pttp -70.27 -29.11 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.658 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -74.79 -42.4 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.29 -31.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.968 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.5 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 20.5 t -70.32 -28.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.876 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -45.7 86.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.588 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.72 -34.34 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.569 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 77.6 mt -74.42 -40.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.375 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.634 ' HZ3' ' CB ' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.91 -36.19 64.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.42 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.757 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 5.9 t70 -65.76 -25.7 67.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.597 . . . . 0.0 109.807 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -64.15 -52.13 60.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.703 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.638 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -74.93 -40.7 60.67 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.68 -15.38 8.94 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.757 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.677 0 O-C-N 120.622 -1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.429 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 63.2 t80 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -76.04 -28.7 57.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.376 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.571 ' NE ' ' O ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -73.84 -46.31 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.87 -31.45 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 40.7 t -71.97 -27.3 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.342 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -68.3 -45.19 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.62 -35.19 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.624 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 75.6 mt -65.13 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.117 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -74.33 -43.36 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.699 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 32.4 t0 -60.46 -26.94 67.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.088 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.3 OUTLIER -59.24 -50.74 72.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.708 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.52 -22.47 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -115.52 14.74 16.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.699 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.569 0 O-C-N 120.699 -1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' N' ' 1' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -66.45 -28.77 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.537 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -48.74 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.062 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.411 HG13 ' N ' ' N' ' 5' ' ' VAL . 17.7 pt -67.23 -41.48 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.486 . . . . 0.0 109.82 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.411 ' N ' HG13 ' N' ' 4' ' ' ILE . 75.0 t -58.91 -29.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.14 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -65.0 -45.32 86.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -55.8 -43.25 76.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.457 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 2.4 mp -62.46 -50.34 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.193 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.41 -31.93 68.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.411 . . . . 0.0 110.054 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.732 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 36.6 t0 -72.9 -25.69 61.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.972 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -69.88 -51.94 28.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.184 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.556 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -75.31 -37.74 60.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.583 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -129.43 7.11 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.732 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.591 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.458 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 68.7 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -76.15 -28.59 57.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.219 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -73.58 -45.3 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.75 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 pt -72.36 -33.45 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 41.2 t -68.96 -27.26 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.853 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.42 -45.42 93.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.025 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.11 -33.69 65.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.44 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.512 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 33.1 mm -69.22 -51.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . 0.59 ' HZ3' ' CB ' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -55.58 -32.38 63.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.575 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.744 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 20.5 t70 -71.09 -25.43 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -71.98 -51.72 20.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.823 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.656 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -70.48 -30.02 66.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.397 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.663 HH11 ' CG ' ' N' ' 13' ' ' ARG . 3.6 mtt-85 -120.06 12.48 11.94 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.744 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.576 0 O-C-N 120.599 -1.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 1' ' ' PHE . . . . . 0.436 ' O ' ' CG2' ' N' ' 5' ' ' VAL . 61.4 t80 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -76.2 -28.54 57.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.05 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 3' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 6.7 ptm180 -72.33 -46.01 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.921 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 4' ' ' ILE . . . . . 0.445 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 7.6 pt -71.49 -34.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.12 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 5' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' N' ' 1' ' ' PHE . 55.1 t -67.98 -27.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -58.93 -42.72 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 7' ' ' ARG . . . . . 0.659 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -52.15 -32.42 35.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.364 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' N' N ' 8' ' ' ILE . . . . . 0.488 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 20.9 mm -68.65 -50.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.249 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -57.55 -30.23 65.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 109.954 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 10' ' ' ASP . . . . . 0.793 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 9.6 t70 -73.25 -25.33 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.059 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -69.48 -49.88 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' N' N ' 12' ' ' LEU . . . . . 0.613 ' CD2' ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -72.46 -39.42 67.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 13' ' ' ARG . . . . . 0.703 HH11 ' CB ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -125.6 3.7 7.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' N' N ' 14' ' ' NH2 . . . . . 0.793 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.618 0 O-C-N 120.488 -1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' N' ' 3' ' ' ARG . 11.8 mpt_? -74.5 -44.3 52.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 pt -72.26 -33.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -70.0 -27.83 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.12 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -63.77 -40.87 97.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.439 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -65.31 -34.83 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.476 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 42.1 mm -63.51 -51.44 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 9' ' ' LYS . . . . . 0.475 ' NZ ' HH21 ' N' ' 13' ' ' ARG . 0.4 OUTLIER -55.25 -32.92 62.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.132 0.492 . . . . 0.0 110.009 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 10' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' N' ' 9' ' ' LYS . 10.3 t70 -72.82 -25.74 61.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.77 -51.61 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.197 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.864 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -74.26 -36.12 63.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.327 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.665 ' HG3' HH11 ' N' ' 13' ' ' ARG . 1.3 ttm-85 . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 38.2 tttm . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.675 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -75.39 -45.04 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.443 HD12 ' C ' ' N' ' 4' ' ' ILE . 0.9 OUTLIER -73.2 -31.49 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.165 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 t -71.32 -27.69 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -58.42 -45.02 89.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.216 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.668 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.16 -44.61 94.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.658 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.472 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 19.1 mm -62.29 -51.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -31.53 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.599 -0.441 . . . . 0.0 109.955 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.016 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.97 -52.32 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.112 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.839 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -75.13 -36.95 61.58 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.477 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 CA--C 1.517 -0.319 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.56 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.683 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.2 mtt-85 -63.28 -48.23 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.4 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.171 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.24 -30.06 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.346 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -31.75 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.091 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.75 -31.81 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 84.1 mt -59.62 -36.85 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.232 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -74.1 -43.57 57.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.23 -26.02 67.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.974 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.22 -49.53 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.584 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.91 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -73.55 -48.4 33.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.689 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.76 -48.21 82.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.208 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.07 -42.45 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.161 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.27 -29.5 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.601 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -65.19 -38.51 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.656 HH11 ' CB ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -59.77 -49.37 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.5 mp -62.5 -36.81 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.239 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -73.82 -43.47 58.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 0.0 110.077 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.41 -25.95 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.031 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.44 -49.37 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.529 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.875 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -74.08 -49.25 24.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.68 ' CG ' HH11 ' N' ' 13' ' ' ARG . 3.6 mtt-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -71.62 -48.1 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pt -70.52 -31.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.48 -27.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -68.12 -45.02 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.623 HH11 ' CB ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.63 -40.47 80.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.271 -179.337 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.468 ' O ' HD22 ' N' ' 12' ' ' LEU . 1.0 OUTLIER -61.35 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.317 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 9' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 28.0 mmtm -52.3 -34.81 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.87 0.366 . . . . 0.0 110.158 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.04 -25.86 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -73.15 -52.35 14.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.955 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.848 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -73.83 -35.18 64.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.141 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.48 ' HE ' ' CA ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -68.8 -48.22 64.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.988 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.47 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -69.58 -31.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.244 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.63 -27.92 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.2 -45.21 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.611 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.59 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tp -59.81 -34.43 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.416 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -73.81 -46.72 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -58.36 -25.57 62.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.086 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -62.09 -51.74 66.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.678 -179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.883 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.6 -42.92 60.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.489 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.61 0.243 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -65.85 -42.74 90.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.839 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.478 HG23 ' N ' ' N' ' 5' ' ' VAL . 15.0 tt -72.48 -42.37 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.845 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 5' ' ' VAL . . . . . 0.478 ' N ' HG23 ' N' ' 4' ' ' ILE . 29.8 t -67.82 -27.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -60.38 -29.78 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.76 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.58 -38.52 81.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.005 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 mm -66.76 -31.44 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.849 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -74.28 -48.85 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.02 -25.88 46.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.131 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -61.3 -50.71 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.518 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.91 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -74.67 -40.94 61.12 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.678 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.464 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 2' ' ' LYS . . . . . 0.549 ' HZ2' ' HB3' ' N' ' 2' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.841 0.353 . . . . 0.0 110.47 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' N' ' 4' ' ' ILE . 1.4 ptm180 -59.34 -48.62 80.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.421 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.448 ' H ' ' HG3' ' N' ' 3' ' ' ARG . 56.0 mt -61.76 -34.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -78.09 -28.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -76.17 -24.73 54.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.14 -39.73 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.551 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 tp -65.98 -40.57 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.297 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 9' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 41.1 mttp -73.71 -43.66 58.6 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 10' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' N' ' 10' ' ' ASP . 5.1 t70 -60.28 -25.61 65.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.88 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 1.1 t80 -63.28 -52.53 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.821 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.902 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -75.81 -37.6 58.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.8 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 . . . . . 0 CA--C 1.514 -0.436 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.629 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' N' N ' 2' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' N' ' 2' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -72.16 -47.94 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 pt -71.05 -32.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.185 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.26 -28.75 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.913 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 6' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' N' ' 10' ' ' ASP . 5.6 tp-100 -61.03 -45.54 94.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.499 ' HE ' ' CA ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -63.39 -48.47 77.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.965 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.616 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 87.2 mt -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 9' ' ' LYS . . . . . 0.406 ' HZ3' ' HB3' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.76 -35.3 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 10' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' N' ' 6' ' ' GLN . 13.8 t70 -65.58 -25.74 67.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.942 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.14 -52.05 60.95 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.514 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.945 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -67.38 -30.42 70.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 11.9 ptp180 -73.38 -45.37 55.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.888 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.449 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -71.0 -32.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.976 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.36 -27.98 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.921 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 6' ' ' GLN . . . . . 0.405 ' OE1' ' NZ ' ' N' ' 9' ' ' LYS . 4.7 tp60 -62.72 -33.41 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.124 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -73.46 -30.75 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.009 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 58.1 mt -62.57 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 9' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' N' ' 10' ' ' ASP . 6.2 ptpt -70.27 -43.69 69.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.278 0.561 . . . . 0.0 109.603 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 10' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' N' ' 9' ' ' LYS . 14.2 t70 -59.06 -25.78 64.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.208 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -65.05 -53.12 50.75 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.545 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.945 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -68.04 -28.37 67.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.823 0.344 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.677 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.7 mtt-85 -71.81 -48.2 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.409 HD13 HG21 ' N' ' 4' ' ' ILE . 7.2 pt -70.57 -31.82 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.85 -27.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.178 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -66.18 -45.11 82.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -55.69 -32.98 63.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.075 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' N' ' 9' ' ' LYS . 0.9 OUTLIER -61.68 -48.38 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.593 -179.486 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' N' N ' 9' ' ' LYS . . . . . 0.495 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 9.7 mtmt -52.43 -29.3 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.889 0.376 . . . . 0.0 110.044 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -76.0 -26.13 56.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.904 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -74.28 -52.45 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.833 179.711 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.866 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -76.19 -34.16 59.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.45 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.8 0.333 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.652 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.1 OUTLIER -71.89 -41.19 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.544 HD12 ' H ' ' N' ' 4' ' ' ILE . 4.9 mp -72.81 -34.54 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -70.22 -27.48 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -39.73 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.412 ' HA ' ' HE ' ' N' ' 7' ' ' ARG . 0.6 OUTLIER -73.49 -37.33 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.621 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tt -70.03 -37.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.729 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 9' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' N' ' 10' ' ' ASP . 2.3 ptmm? -73.58 -39.37 64.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.033 0.445 . . . . 0.0 109.992 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 10' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' N' ' 9' ' ' LYS . 47.5 t0 -62.05 -25.67 67.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.151 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.79 -52.54 56.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 -179.153 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.952 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.39 -28.96 67.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.667 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.691 0.281 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -65.91 -48.84 70.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.355 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.454 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -65.96 -33.76 65.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -66.36 -33.72 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.139 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -58.17 -43.76 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.67 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -52.63 -46.93 67.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.175 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.564 HD12 ' N ' ' N' ' 8' ' ' ILE . 2.3 mp -61.54 -50.09 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -52.62 -28.69 22.36 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.135 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.28 -26.23 55.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.183 0.516 . . . . 0.0 109.86 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' N' ' 8' ' ' ILE . 0.6 OUTLIER -67.73 -48.14 67.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.887 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.23 -44.62 59.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.696 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.672 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 9.4 ptm180 -73.59 -44.14 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.401 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 5.8 pt -73.44 -34.91 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.915 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.19 -27.74 38.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.674 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 6' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' N' ' 10' ' ' ASP . 6.7 tp60 -58.26 -45.11 88.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.228 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 7' ' ' ARG . 3.6 mtt-85 -55.42 -50.96 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 30.2 mm -63.92 -40.92 90.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -36.53 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 10' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' N' ' 6' ' ' GLN . 7.0 t70 -65.26 -24.84 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -66.61 -52.96 39.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.124 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.881 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.36 -32.12 64.33 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 . . . . . 0 CA--C 1.516 -0.343 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.118 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.47 -48.18 82.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.45 -31.59 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.231 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.59 -27.54 23.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.017 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -45.14 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.782 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -56.13 -30.7 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 29.7 mt -65.91 -50.42 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.266 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -57.84 -31.34 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -72.95 -25.82 61.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -70.44 -51.84 26.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.151 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.797 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.8 mm? -75.12 -37.37 61.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.485 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.679 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.808 0.337 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -74.79 -42.4 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.477 HD12 ' H ' ' N' ' 4' ' ' ILE . 4.5 mp -73.29 -31.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.968 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.32 -28.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.876 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.34 -45.7 86.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.588 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.72 -34.34 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.569 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 77.6 mt -74.42 -40.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.375 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' N' N ' 9' ' ' LYS . . . . . 0.555 ' HZ3' ' HB3' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.91 -36.19 64.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.42 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.76 -25.7 67.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.597 . . . . 0.0 109.807 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -64.15 -52.13 60.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.703 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.907 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -74.93 -40.7 60.67 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.499 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.76 0.314 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.571 ' NE ' ' O ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -73.84 -46.31 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.87 -31.45 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -71.97 -27.3 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.342 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 6' ' ' GLN . . . . . 0.423 ' HB3' HH21 ' N' ' 3' ' ' ARG . 23.2 tp60 -68.3 -45.19 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.62 -35.19 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.624 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 75.6 mt -65.13 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.117 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -74.33 -43.36 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -60.46 -26.94 67.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.088 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.3 OUTLIER -59.24 -50.74 72.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.948 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.52 -22.47 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -48.74 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.062 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.428 HG13 ' N ' ' N' ' 5' ' ' VAL . 17.7 pt -67.23 -41.48 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.486 . . . . 0.0 109.82 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 5' ' ' VAL . . . . . 0.428 ' N ' HG13 ' N' ' 4' ' ' ILE . 75.0 t -58.91 -29.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.14 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -65.0 -45.32 86.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -55.8 -43.25 76.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.457 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 2.4 mp -62.46 -50.34 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.193 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.41 -31.93 68.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.411 . . . . 0.0 110.054 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.9 -25.69 61.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.972 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -69.88 -51.94 28.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.184 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.813 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -75.31 -37.74 60.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.583 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.629 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 tttm . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.837 0.351 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -73.58 -45.3 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.75 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 pt -72.36 -33.45 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.96 -27.26 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.853 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.42 -45.42 93.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.025 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.11 -33.69 65.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.44 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.512 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 33.1 mm -69.22 -51.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -32.38 63.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.09 -25.43 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.182 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -71.98 -51.72 20.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.823 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.901 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -70.48 -30.02 66.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.397 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' N' ' 13' ' ' ARG . 3.6 mtt-85 . . . . . 0 CA--C 1.515 -0.368 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' N' N ' 3' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 6.7 ptm180 -72.33 -46.01 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.921 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 4' ' ' ILE . . . . . 0.445 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 7.6 pt -71.49 -34.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.12 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.98 -27.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -58.93 -42.72 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 7' ' ' ARG . . . . . 0.673 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -52.15 -32.42 35.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.364 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' N' N ' 8' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 20.9 mm -68.65 -50.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.249 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -57.55 -30.23 65.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 109.954 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.25 -25.33 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.059 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 11' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -69.48 -49.88 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' N' N ' 12' ' ' LEU . . . . . 0.864 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -72.46 -39.42 67.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 13' ' ' ARG . . . . . 0.725 HH11 ' CB ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.624 ' O ' HG23 ' N' ' 5' ' ' VAL . 67.7 t80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -29.03 57.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.232 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' N' ' 3' ' ' ARG . 11.8 mpt_? -74.5 -44.3 52.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 pt -72.26 -33.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.624 HG23 ' O ' ' N' ' 1' ' ' PHE . 41.9 t -70.0 -27.83 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.12 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -63.77 -40.87 97.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.439 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -65.31 -34.83 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.476 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 42.1 mm -63.51 -51.44 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 9' ' ' LYS . . . . . 0.475 ' NZ ' HH21 ' N' ' 13' ' ' ARG . 0.4 OUTLIER -55.25 -32.92 62.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.132 0.492 . . . . 0.0 110.009 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.734 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 10.3 t70 -72.82 -25.74 61.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.77 -51.61 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.197 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.864 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -74.26 -36.12 63.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.327 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.665 ' HG3' HH11 ' N' ' 13' ' ' ARG . 1.3 ttm-85 -117.33 -24.4 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.734 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.474 ' O ' HG23 ' N' ' 5' ' ' VAL . 64.5 t80 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -68.0 -29.87 68.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.332 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.675 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -75.39 -45.04 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.443 HD12 ' C ' ' N' ' 4' ' ' ILE . 0.9 OUTLIER -73.2 -31.49 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.165 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.474 HG23 ' O ' ' N' ' 1' ' ' PHE . 26.8 t -71.32 -27.69 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -58.42 -45.02 89.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.216 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.668 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.16 -44.61 94.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.658 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.472 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 19.1 mm -62.29 -51.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -31.53 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.599 -0.441 . . . . 0.0 109.955 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 25.1 t0 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.016 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.97 -52.32 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.112 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.839 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -75.13 -36.95 61.58 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.477 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.29 1.83 6.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.724 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.584 0 O-C-N 120.511 -1.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.589 ' CE2' ' CG2' ' N' ' 5' ' ' VAL . 43.5 t80 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -55.95 -37.72 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.683 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.2 mtt-85 -63.28 -48.23 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.4 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.171 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.589 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 74.1 t -74.24 -30.06 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.346 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.23 -31.75 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.091 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.657 ' CG ' HH11 ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.75 -31.81 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 84.1 mt -59.62 -36.85 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.232 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -74.1 -43.57 57.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.75 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 34.9 t70 -61.23 -26.02 67.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.974 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.22 -49.53 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.584 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.91 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -73.55 -48.4 33.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.689 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -117.95 -15.42 9.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.75 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 120.617 -1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.511 ' O ' HG23 ' N' ' 5' ' ' VAL . 37.5 t80 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -56.29 -39.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.76 -48.21 82.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.208 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.07 -42.45 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.161 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.511 HG23 ' O ' ' N' ' 1' ' ' PHE . 93.3 t -63.27 -29.5 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.601 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -65.19 -38.51 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.656 HH11 ' CB ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -59.77 -49.37 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.5 mp -62.5 -36.81 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.239 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -73.82 -43.47 58.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 0.0 110.077 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.764 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 18.6 t70 -61.41 -25.95 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.031 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.44 -49.37 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.529 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.875 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -74.08 -49.25 24.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.68 ' CG ' HH11 ' N' ' 13' ' ' ARG . 3.6 mtt-85 -124.38 2.73 8.43 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.764 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.695 ' O ' HG23 ' N' ' 5' ' ' VAL . 66.0 t80 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -73.43 -28.38 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.031 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -71.62 -48.1 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pt -70.52 -31.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.695 HG23 ' O ' ' N' ' 1' ' ' PHE . 54.7 t -71.48 -27.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -68.12 -45.02 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.623 ' CB ' HH11 ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.63 -40.47 80.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.271 -179.337 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.468 ' O ' HD22 ' N' ' 12' ' ' LEU . 1.0 OUTLIER -61.35 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.317 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 9' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 28.0 mmtm -52.3 -34.81 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.87 0.366 . . . . 0.0 110.158 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.731 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 12.9 t0 -71.04 -25.86 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -73.15 -52.35 14.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.955 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.848 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -73.83 -35.18 64.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.141 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -118.7 -20.31 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.63 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.731 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.676 ' O ' HG23 ' N' ' 5' ' ' VAL . 29.9 t80 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -76.19 -28.63 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.48 ' HE ' ' CA ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -68.8 -48.22 64.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.988 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.47 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -69.58 -31.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.244 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.676 HG23 ' O ' ' N' ' 1' ' ' PHE . 58.4 t -70.63 -27.92 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.2 -45.21 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.611 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.59 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tp -59.81 -34.43 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.416 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -73.81 -46.72 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 33.6 t0 -58.36 -25.57 62.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.086 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -62.09 -51.74 66.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.678 -179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.883 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.6 -42.92 60.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.792 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.705 0 O-C-N 120.7 -1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' N' ' 5' ' ' VAL . 23.4 t80 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -76.5 -37.6 56.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -65.85 -42.74 90.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.839 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.478 HG23 ' N ' ' N' ' 5' ' ' VAL . 15.0 tt -72.48 -42.37 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.845 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.579 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 29.8 t -67.82 -27.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -60.38 -29.78 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.76 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.58 -38.52 81.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.005 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 mm -66.76 -31.44 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.849 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -74.28 -48.85 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 19.4 t70 -56.02 -25.88 46.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.131 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -61.3 -50.71 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.518 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.91 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -74.67 -40.94 61.12 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.678 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.3 OUTLIER -112.68 -30.45 7.08 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.807 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.649 0 O-C-N 120.753 -1.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.606 ' O ' HG23 ' N' ' 5' ' ' VAL . 41.0 t80 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 2' ' ' LYS . . . . . 0.549 ' HZ2' ' HB3' ' N' ' 2' ' ' LYS . 0.6 OUTLIER -72.38 -47.07 52.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' N' ' 4' ' ' ILE . 1.4 ptm180 -59.34 -48.62 80.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.421 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.448 ' H ' ' HG3' ' N' ' 3' ' ' ARG . 56.0 mt -61.76 -34.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.606 HG23 ' O ' ' N' ' 1' ' ' PHE . 45.8 t -78.09 -28.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -76.17 -24.73 54.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.14 -39.73 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.551 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 tp -65.98 -40.57 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.297 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 9' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 41.1 mttp -73.71 -43.66 58.6 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.781 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 5.1 t70 -60.28 -25.61 65.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.88 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 1.1 t80 -63.28 -52.53 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.821 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.902 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -75.81 -37.6 58.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.8 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -113.54 -29.41 7.18 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.781 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.674 0 O-C-N 120.707 -1.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.644 ' O ' HG23 ' N' ' 5' ' ' VAL . 49.4 t80 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 2' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' N' ' 2' ' ' LYS . 0.9 OUTLIER -74.51 -28.85 61.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -72.16 -47.94 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' N' ' 1' ' ' PHE . 7.4 pt -71.05 -32.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.185 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.644 HG23 ' O ' ' N' ' 1' ' ' PHE . 39.6 t -69.26 -28.75 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.913 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 6' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' N' ' 10' ' ' ASP . 5.6 tp-100 -61.03 -45.54 94.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.499 ' HE ' ' CA ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -63.39 -48.47 77.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.965 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.616 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 87.2 mt -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 9' ' ' LYS . . . . . 0.406 ' HZ3' ' HB3' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.76 -35.3 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.768 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 13.8 t70 -65.58 -25.74 67.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.942 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.14 -52.05 60.95 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.514 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.945 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -67.38 -30.42 70.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.24 20.53 10.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.768 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 120.607 -1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.619 ' O ' HG23 ' N' ' 5' ' ' VAL . 45.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -76.25 -28.81 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 11.9 ptp180 -73.38 -45.37 55.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.888 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.449 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -71.0 -32.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.976 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.619 HG23 ' O ' ' N' ' 1' ' ' PHE . 48.1 t -71.36 -27.98 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.921 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 6' ' ' GLN . . . . . 0.405 ' OE1' ' NZ ' ' N' ' 9' ' ' LYS . 4.7 tp60 -62.72 -33.41 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.124 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -73.46 -30.75 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.009 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 58.1 mt -62.57 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 9' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' N' ' 10' ' ' ASP . 6.2 ptpt -70.27 -43.69 69.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.278 0.561 . . . . 0.0 109.603 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.745 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 14.2 t70 -59.06 -25.78 64.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.208 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -65.05 -53.12 50.75 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.545 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.945 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -68.04 -28.37 67.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -121.06 21.67 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.745 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 120.668 -1.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.679 ' O ' HG23 ' N' ' 5' ' ' VAL . 54.0 t80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -73.99 -28.64 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.364 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.677 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.7 mtt-85 -71.81 -48.2 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.409 HD13 HG21 ' N' ' 4' ' ' ILE . 7.2 pt -70.57 -31.82 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.679 HG23 ' O ' ' N' ' 1' ' ' PHE . 53.9 t -70.85 -27.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -66.18 -45.11 82.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -55.69 -32.98 63.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.075 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' N' ' 9' ' ' LYS . 0.9 OUTLIER -61.68 -48.38 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.593 -179.486 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 9' ' ' LYS . . . . . 0.495 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 9.7 mtmt -52.43 -29.3 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.889 0.376 . . . . 0.0 110.044 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 13.7 t70 -76.0 -26.13 56.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.904 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -74.28 -52.45 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.833 179.711 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.866 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -76.19 -34.16 59.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -125.08 -4.31 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.684 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.574 0 O-C-N 120.531 -1.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.504 ' O ' HG23 ' N' ' 5' ' ' VAL . 52.1 t80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -60.62 -36.11 77.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.652 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.1 OUTLIER -71.89 -41.19 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.544 HD12 ' H ' ' N' ' 4' ' ' ILE . 4.9 mp -72.81 -34.54 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.504 HG23 ' O ' ' N' ' 1' ' ' PHE . 44.5 t -70.22 -27.48 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -39.73 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.412 ' HA ' ' HE ' ' N' ' 7' ' ' ARG . 0.6 OUTLIER -73.49 -37.33 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.621 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tt -70.03 -37.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.729 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 9' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' N' ' 10' ' ' ASP . 2.3 ptmm? -73.58 -39.37 64.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.033 0.445 . . . . 0.0 109.992 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.75 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 47.5 t0 -62.05 -25.67 67.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.151 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.79 -52.54 56.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 -179.153 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.952 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.39 -28.96 67.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.667 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -122.16 20.91 10.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.503 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.75 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.572 0 O-C-N 120.608 -1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.759 ' CZ ' HG21 ' N' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -63.21 -28.64 70.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.764 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -65.91 -48.84 70.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.355 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.454 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -65.96 -33.76 65.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.759 HG21 ' CZ ' ' N' ' 1' ' ' PHE . 60.7 t -66.36 -33.72 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.139 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -58.17 -43.76 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.67 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -52.63 -46.93 67.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.175 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.564 HD12 ' N ' ' N' ' 8' ' ' ILE . 2.3 mp -61.54 -50.09 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -52.62 -28.69 22.36 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.135 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.735 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 32.7 t70 -76.28 -26.23 55.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.183 0.516 . . . . 0.0 109.86 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' N' ' 8' ' ' ILE . 0.6 OUTLIER -67.73 -48.14 67.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.887 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.23 -44.62 59.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.696 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.672 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -121.09 -11.46 8.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.716 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.735 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.63 -1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.599 ' O ' HG23 ' N' ' 5' ' ' VAL . 77.1 t80 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -76.29 -28.66 57.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.246 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 9.4 ptm180 -73.59 -44.14 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.401 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 5.8 pt -73.44 -34.91 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.915 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.599 HG23 ' O ' ' N' ' 1' ' ' PHE . 39.7 t -68.19 -27.74 38.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.674 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 6' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' N' ' 10' ' ' ASP . 6.7 tp60 -58.26 -45.11 88.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.228 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 7' ' ' ARG . 3.6 mtt-85 -55.42 -50.96 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 30.2 mm -63.92 -40.92 90.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -36.53 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.826 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 7.0 t70 -65.26 -24.84 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -66.61 -52.96 39.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.124 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.881 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.36 -32.12 64.33 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -120.9 8.93 10.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.826 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.658 0 O-C-N 120.541 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.568 ' O ' HG23 ' N' ' 5' ' ' VAL . 40.3 t80 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.87 -34.84 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.47 -48.18 82.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.45 -31.59 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.231 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.568 HG23 ' O ' ' N' ' 1' ' ' PHE . 67.4 t -73.59 -27.54 23.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.017 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -45.14 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.782 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -56.13 -30.7 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 29.7 mt -65.91 -50.42 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.266 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -57.84 -31.34 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.717 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 50.1 t0 -72.95 -25.82 61.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -70.44 -51.84 26.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.151 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.797 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.8 mm? -75.12 -37.37 61.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.485 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -120.38 -14.31 8.74 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.717 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.641 0 O-C-N 120.633 -1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.502 ' O ' HG23 ' N' ' 5' ' ' VAL . 42.9 t80 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 2' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' N' ' 2' ' ' LYS . 19.9 pttp -70.27 -29.11 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -74.79 -42.4 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.477 HD12 ' H ' ' N' ' 4' ' ' ILE . 4.5 mp -73.29 -31.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.968 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.502 HG23 ' O ' ' N' ' 1' ' ' PHE . 20.5 t -70.32 -28.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.876 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.34 -45.7 86.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.588 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.72 -34.34 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.569 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 77.6 mt -74.42 -40.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.375 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 9' ' ' LYS . . . . . 0.555 ' HZ3' ' HB3' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.91 -36.19 64.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.42 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.757 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 5.9 t70 -65.76 -25.7 67.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.597 . . . . 0.0 109.807 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -64.15 -52.13 60.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.703 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.907 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -74.93 -40.7 60.67 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.68 -15.38 8.94 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.757 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.677 0 O-C-N 120.622 -1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.582 ' O ' HG23 ' N' ' 5' ' ' VAL . 63.2 t80 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -76.04 -28.7 57.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.376 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.571 ' NE ' ' O ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -73.84 -46.31 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.87 -31.45 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.582 HG23 ' O ' ' N' ' 1' ' ' PHE . 40.7 t -71.97 -27.3 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.342 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 6' ' ' GLN . . . . . 0.423 ' HB3' HH21 ' N' ' 3' ' ' ARG . 23.2 tp60 -68.3 -45.19 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.62 -35.19 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.624 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 75.6 mt -65.13 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.117 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -74.33 -43.36 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.699 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 32.4 t0 -60.46 -26.94 67.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.088 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.3 OUTLIER -59.24 -50.74 72.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.948 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.52 -22.47 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -115.52 14.74 16.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.699 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.569 0 O-C-N 120.699 -1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.752 ' CZ ' HG21 ' N' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -66.45 -28.77 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.537 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -48.74 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.062 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.428 HG13 ' N ' ' N' ' 5' ' ' VAL . 17.7 pt -67.23 -41.48 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.486 . . . . 0.0 109.82 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.752 HG21 ' CZ ' ' N' ' 1' ' ' PHE . 75.0 t -58.91 -29.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.14 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -65.0 -45.32 86.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -55.8 -43.25 76.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.457 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 2.4 mp -62.46 -50.34 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.193 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.41 -31.93 68.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.411 . . . . 0.0 110.054 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.732 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 36.6 t0 -72.9 -25.69 61.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.972 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -69.88 -51.94 28.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.184 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.813 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -75.31 -37.74 60.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.583 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -129.43 7.11 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.732 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.591 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.638 ' O ' HG23 ' N' ' 5' ' ' VAL . 68.7 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -76.15 -28.59 57.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.219 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -73.58 -45.3 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.75 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 pt -72.36 -33.45 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.638 HG23 ' O ' ' N' ' 1' ' ' PHE . 41.2 t -68.96 -27.26 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.853 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.42 -45.42 93.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.025 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.11 -33.69 65.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.44 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.512 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 33.1 mm -69.22 -51.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -32.38 63.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.744 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 20.5 t70 -71.09 -25.43 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -71.98 -51.72 20.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.823 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.901 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -70.48 -30.02 66.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.397 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' N' ' 13' ' ' ARG . 3.6 mtt-85 -120.06 12.48 11.94 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.744 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.576 0 O-C-N 120.599 -1.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 1' ' ' PHE . . . . . 0.648 ' O ' HG23 ' N' ' 5' ' ' VAL . 61.4 t80 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -76.2 -28.54 57.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.05 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 3' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 6.7 ptm180 -72.33 -46.01 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.921 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 4' ' ' ILE . . . . . 0.445 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 7.6 pt -71.49 -34.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.12 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 5' ' ' VAL . . . . . 0.648 HG23 ' O ' ' N' ' 1' ' ' PHE . 55.1 t -67.98 -27.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -58.93 -42.72 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 7' ' ' ARG . . . . . 0.673 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -52.15 -32.42 35.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.364 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' N' N ' 8' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 20.9 mm -68.65 -50.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.249 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -57.55 -30.23 65.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 109.954 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 10' ' ' ASP . . . . . 0.793 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 9.6 t70 -73.25 -25.33 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.059 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 11' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -69.48 -49.88 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' N' N ' 12' ' ' LEU . . . . . 0.864 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -72.46 -39.42 67.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 13' ' ' ARG . . . . . 0.725 HH11 ' CB ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -125.6 3.7 7.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' N' N ' 14' ' ' NH2 . . . . . 0.793 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.618 0 O-C-N 120.488 -1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' N' ' 3' ' ' ARG . 11.8 mpt_? -74.5 -44.3 52.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 pt -72.26 -33.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -70.0 -27.83 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.12 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -63.77 -40.87 97.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.439 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -65.31 -34.83 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.476 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 42.1 mm -63.51 -51.44 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.475 ' NZ ' HH21 ' N' ' 13' ' ' ARG . 0.4 OUTLIER -55.25 -32.92 62.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.132 0.492 . . . . 0.0 110.009 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' N' ' 9' ' ' LYS . 10.3 t70 -72.82 -25.74 61.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.77 -51.61 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.197 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.864 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -74.26 -36.12 63.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.327 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.665 ' HG3' HH11 ' N' ' 13' ' ' ARG . 1.3 ttm-85 . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 38.2 tttm . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.675 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -75.39 -45.04 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.443 HD12 ' C ' ' N' ' 4' ' ' ILE . 0.9 OUTLIER -73.2 -31.49 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.165 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 t -71.32 -27.69 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.507 HE21 ' CD ' ' N' ' 9' ' ' LYS . 1.2 tp60 -58.42 -45.02 89.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.216 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.668 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.16 -44.61 94.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.658 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.472 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 19.1 mm -62.29 -51.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.507 ' CD ' HE21 ' N' ' 6' ' ' GLN . 0.1 OUTLIER -58.4 -31.53 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.599 -0.441 . . . . 0.0 109.955 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.016 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.97 -52.32 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.112 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.839 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -75.13 -36.95 61.58 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.477 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 CA--C 1.517 -0.319 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.56 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.683 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.2 mtt-85 -63.28 -48.23 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.4 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.171 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.24 -30.06 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.346 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -31.75 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.091 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.657 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.75 -31.81 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 84.1 mt -59.62 -36.85 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.232 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -74.1 -43.57 57.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.23 -26.02 67.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.974 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.22 -49.53 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.584 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.91 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -73.55 -48.4 33.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.689 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.76 -48.21 82.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.208 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.07 -42.45 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.161 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.27 -29.5 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.601 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -65.19 -38.51 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.656 HH11 ' CB ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -59.77 -49.37 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.5 mp -62.5 -36.81 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.239 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -73.82 -43.47 58.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 0.0 110.077 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.41 -25.95 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.031 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.44 -49.37 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.529 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.875 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -74.08 -49.25 24.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.68 ' CG ' HH11 ' N' ' 13' ' ' ARG . 3.6 mtt-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -71.62 -48.1 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pt -70.52 -31.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.48 -27.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -68.12 -45.02 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.623 HH11 ' CB ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.63 -40.47 80.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.271 -179.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.468 ' O ' HD22 ' N' ' 12' ' ' LEU . 1.0 OUTLIER -61.35 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.317 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 28.0 mmtm -52.3 -34.81 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.87 0.366 . . . . 0.0 110.158 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.04 -25.86 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -73.15 -52.35 14.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.955 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.848 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -73.83 -35.18 64.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.141 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.48 ' HE ' ' CA ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -68.8 -48.22 64.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.988 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.47 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -69.58 -31.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.244 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -70.63 -27.92 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.2 -45.21 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.611 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.59 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tp -59.81 -34.43 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.416 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -73.81 -46.72 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -58.36 -25.57 62.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.086 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -62.09 -51.74 66.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.678 -179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.883 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.6 -42.92 60.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.489 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.61 0.243 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -65.85 -42.74 90.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.839 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.478 HG23 ' N ' ' N' ' 5' ' ' VAL . 15.0 tt -72.48 -42.37 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.845 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . 0.478 ' N ' HG23 ' N' ' 4' ' ' ILE . 29.8 t -67.82 -27.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -60.38 -29.78 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.76 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.58 -38.52 81.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.005 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 mm -66.76 -31.44 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.849 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -74.28 -48.85 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.02 -25.88 46.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.131 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -61.3 -50.71 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.518 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.91 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -74.67 -40.94 61.12 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.678 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.464 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . 0.549 ' HZ2' ' HB3' ' N' ' 2' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.841 0.353 . . . . 0.0 110.47 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' N' ' 4' ' ' ILE . 1.4 ptm180 -59.34 -48.62 80.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.421 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.448 ' H ' ' HG3' ' N' ' 3' ' ' ARG . 56.0 mt -61.76 -34.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -78.09 -28.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.614 ' CA ' HE21 ' N' ' 6' ' ' GLN . 0.0 OUTLIER -76.17 -24.73 54.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.352 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.14 -39.73 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.551 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 tp -65.98 -40.57 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.297 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 41.1 mttp -73.71 -43.66 58.6 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' N' ' 10' ' ' ASP . 5.1 t70 -60.28 -25.61 65.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.88 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 1.1 t80 -63.28 -52.53 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.821 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.902 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -75.81 -37.6 58.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.8 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 . . . . . 0 CA--C 1.514 -0.436 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.629 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' N' ' 2' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -72.16 -47.94 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 pt -71.05 -32.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.185 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.26 -28.75 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.913 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' N' ' 10' ' ' ASP . 5.6 tp-100 -61.03 -45.54 94.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.499 ' HE ' ' CA ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -63.39 -48.47 77.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.965 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.616 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 87.2 mt -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.406 ' HZ3' ' HB3' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.76 -35.3 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' N' ' 6' ' ' GLN . 13.8 t70 -65.58 -25.74 67.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.942 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.14 -52.05 60.95 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.514 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.945 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -67.38 -30.42 70.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mttp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 11.9 ptp180 -73.38 -45.37 55.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.888 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.449 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -71.0 -32.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.976 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.36 -27.98 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.921 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.626 ' NE2' ' HZ1' ' N' ' 9' ' ' LYS . 0.2 OUTLIER -62.72 -33.41 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.124 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -73.46 -30.75 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.009 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 58.1 mt -62.57 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.626 ' HZ1' ' NE2' ' N' ' 6' ' ' GLN . 6.2 ptpt -70.27 -43.69 69.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.278 0.561 . . . . 0.0 109.603 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' N' ' 9' ' ' LYS . 14.2 t70 -59.06 -25.78 64.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.208 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -65.05 -53.12 50.75 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.545 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.945 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -68.04 -28.37 67.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.823 0.344 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.677 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.7 mtt-85 -71.81 -48.2 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.409 HD13 HG21 ' N' ' 4' ' ' ILE . 7.2 pt -70.57 -31.82 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.85 -27.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.178 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -66.18 -45.11 82.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -55.69 -32.98 63.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.075 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' N' ' 9' ' ' LYS . 0.9 OUTLIER -61.68 -48.38 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.593 -179.486 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.495 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 9.7 mtmt -52.43 -29.3 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.889 0.376 . . . . 0.0 110.044 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -76.0 -26.13 56.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.904 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -74.28 -52.45 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.833 179.711 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.866 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -76.19 -34.16 59.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.45 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.8 0.333 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.652 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.1 OUTLIER -71.89 -41.19 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.544 HD12 ' H ' ' N' ' 4' ' ' ILE . 4.9 mp -72.81 -34.54 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -70.22 -27.48 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.436 HE21 ' HD3' ' N' ' 9' ' ' LYS . 0.9 OUTLIER -66.41 -39.73 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.412 ' HA ' ' HE ' ' N' ' 7' ' ' ARG . 0.6 OUTLIER -73.49 -37.33 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.621 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tt -70.03 -37.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.729 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.436 ' HD3' HE21 ' N' ' 6' ' ' GLN . 2.3 ptmm? -73.58 -39.37 64.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.033 0.445 . . . . 0.0 109.992 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' N' ' 9' ' ' LYS . 47.5 t0 -62.05 -25.67 67.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.151 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.79 -52.54 56.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 -179.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.952 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.39 -28.96 67.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.667 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.691 0.281 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -65.91 -48.84 70.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.355 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.454 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -65.96 -33.76 65.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -66.36 -33.72 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.139 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.17 -43.76 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.67 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -52.63 -46.93 67.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.175 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.564 HD12 ' N ' ' N' ' 8' ' ' ILE . 2.3 mp -61.54 -50.09 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -52.62 -28.69 22.36 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.135 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.28 -26.23 55.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.183 0.516 . . . . 0.0 109.86 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' N' ' 8' ' ' ILE . 0.6 OUTLIER -67.73 -48.14 67.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.887 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.23 -44.62 59.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.696 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.672 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.789 0.328 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 9.4 ptm180 -73.59 -44.14 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.401 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 5.8 pt -73.44 -34.91 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.915 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.19 -27.74 38.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.674 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' N' ' 10' ' ' ASP . 0.4 OUTLIER -58.26 -45.11 88.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.228 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 7' ' ' ARG . 3.6 mtt-85 -55.42 -50.96 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 30.2 mm -63.92 -40.92 90.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -36.53 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' N' ' 6' ' ' GLN . 7.0 t70 -65.26 -24.84 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -66.61 -52.96 39.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.124 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.881 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.36 -32.12 64.33 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 . . . . . 0 CA--C 1.516 -0.343 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.118 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.765 0.317 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.47 -48.18 82.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.45 -31.59 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.231 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.59 -27.54 23.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.017 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' N' ' 6' ' ' GLN . 0.0 OUTLIER -66.0 -45.14 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.782 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -56.13 -30.7 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 29.7 mt -65.91 -50.42 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.266 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -57.84 -31.34 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -72.95 -25.82 61.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -70.44 -51.84 26.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.151 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.797 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.8 mm? -75.12 -37.37 61.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.485 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.679 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.808 0.337 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -74.79 -42.4 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.477 HD12 ' H ' ' N' ' 4' ' ' ILE . 4.5 mp -73.29 -31.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.968 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.32 -28.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.876 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.402 ' CA ' HE21 ' N' ' 6' ' ' GLN . 0.3 OUTLIER -64.34 -45.7 86.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.588 -179.254 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.72 -34.34 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.569 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 77.6 mt -74.42 -40.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.375 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . 0.555 ' HZ3' ' HB3' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.91 -36.19 64.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.42 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -65.76 -25.7 67.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.597 . . . . 0.0 109.807 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -64.15 -52.13 60.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.703 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.907 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -74.93 -40.7 60.67 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.499 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.76 0.314 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.571 ' NE ' ' O ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -73.84 -46.31 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.87 -31.45 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -71.97 -27.3 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.342 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . 0.423 ' HB3' HH21 ' N' ' 3' ' ' ARG . 23.2 tp60 -68.3 -45.19 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.62 -35.19 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.624 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 75.6 mt -65.13 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.117 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -74.33 -43.36 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -60.46 -26.94 67.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.088 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.3 OUTLIER -59.24 -50.74 72.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.948 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.52 -22.47 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -48.74 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.062 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.428 HG13 ' N ' ' N' ' 5' ' ' VAL . 17.7 pt -67.23 -41.48 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.486 . . . . 0.0 109.82 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . 0.428 ' N ' HG13 ' N' ' 4' ' ' ILE . 75.0 t -58.91 -29.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.14 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -65.0 -45.32 86.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -55.8 -43.25 76.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.457 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 2.4 mp -62.46 -50.34 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.193 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.41 -31.93 68.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.411 . . . . 0.0 110.054 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -72.9 -25.69 61.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.972 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -69.88 -51.94 28.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.184 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.813 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -75.31 -37.74 60.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.583 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.629 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 tttm . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.837 0.351 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -73.58 -45.3 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.75 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 pt -72.36 -33.45 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.96 -27.26 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.853 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.42 -45.42 93.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.025 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.11 -33.69 65.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.44 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.512 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 33.1 mm -69.22 -51.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -32.38 63.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.09 -25.43 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.182 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -71.98 -51.72 20.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.823 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.901 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -70.48 -30.02 66.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.397 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' N' ' 13' ' ' ARG . 3.6 mtt-85 . . . . . 0 CA--C 1.515 -0.368 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' N' N ' 3' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 6.7 ptm180 -72.33 -46.01 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.921 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 4' ' ' ILE . . . . . 0.445 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 7.6 pt -71.49 -34.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.12 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.98 -27.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -58.93 -42.72 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 7' ' ' ARG . . . . . 0.673 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -52.15 -32.42 35.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.364 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' N' N ' 8' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 20.9 mm -68.65 -50.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.249 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -57.55 -30.23 65.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 109.954 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.25 -25.33 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.059 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -69.48 -49.88 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' N' N ' 12' ' ' LEU . . . . . 0.864 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -72.46 -39.42 67.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 13' ' ' ARG . . . . . 0.725 HH11 ' CB ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.624 ' O ' HG23 ' N' ' 5' ' ' VAL . 67.7 t80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.37 -29.03 57.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.232 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.403 ' N ' ' CD ' ' N' ' 3' ' ' ARG . 11.8 mpt_? -74.5 -44.3 52.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 pt -72.26 -33.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.194 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.624 HG23 ' O ' ' N' ' 1' ' ' PHE . 41.9 t -70.0 -27.83 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.12 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -63.77 -40.87 97.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.439 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -65.31 -34.83 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.476 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 42.1 mm -63.51 -51.44 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.475 ' NZ ' HH21 ' N' ' 13' ' ' ARG . 0.4 OUTLIER -55.25 -32.92 62.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.132 0.492 . . . . 0.0 110.009 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.734 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 10.3 t70 -72.82 -25.74 61.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.77 -51.61 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.197 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.864 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -74.26 -36.12 63.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.327 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.665 ' HG3' HH11 ' N' ' 13' ' ' ARG . 1.3 ttm-85 -117.33 -24.4 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.734 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.474 ' O ' HG23 ' N' ' 5' ' ' VAL . 64.5 t80 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -68.0 -29.87 68.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.332 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.675 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -75.39 -45.04 41.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.634 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.443 ' C ' HD12 ' N' ' 4' ' ' ILE . 0.9 OUTLIER -73.2 -31.49 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.165 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.474 HG23 ' O ' ' N' ' 1' ' ' PHE . 26.8 t -71.32 -27.69 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.507 HE21 ' CD ' ' N' ' 9' ' ' LYS . 1.2 tp60 -58.42 -45.02 89.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.216 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.668 ' CG ' HH11 ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.16 -44.61 94.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.658 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.472 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 19.1 mm -62.29 -51.21 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.507 ' CD ' HE21 ' N' ' 6' ' ' GLN . 0.1 OUTLIER -58.4 -31.53 67.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.599 -0.441 . . . . 0.0 109.955 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.724 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 25.1 t0 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.016 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -70.97 -52.32 20.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.112 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.839 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -75.13 -36.95 61.58 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.477 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.29 1.83 6.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.724 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.584 0 O-C-N 120.511 -1.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.589 ' CE2' ' CG2' ' N' ' 5' ' ' VAL . 43.5 t80 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -55.95 -37.72 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.683 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.2 mtt-85 -63.28 -48.23 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.4 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.171 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.589 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 74.1 t -74.24 -30.06 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.346 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -31.75 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.091 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.657 ' CG ' HH11 ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.75 -31.81 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 84.1 mt -59.62 -36.85 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.232 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -74.1 -43.57 57.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.75 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 34.9 t70 -61.23 -26.02 67.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.974 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.22 -49.53 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.584 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.91 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -73.55 -48.4 33.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.689 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -117.95 -15.42 9.97 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.75 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 120.617 -1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.511 ' O ' HG23 ' N' ' 5' ' ' VAL . 37.5 t80 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -56.29 -39.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.76 -48.21 82.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.208 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -65.07 -42.45 94.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.161 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.511 HG23 ' O ' ' N' ' 1' ' ' PHE . 93.3 t -63.27 -29.5 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.601 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -65.19 -38.51 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.355 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.656 HH11 ' CB ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -59.77 -49.37 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.5 mp -62.5 -36.81 76.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.239 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -73.82 -43.47 58.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 0.0 110.077 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.764 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 18.6 t70 -61.41 -25.95 67.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.031 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -60.44 -49.37 77.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.529 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.875 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -74.08 -49.25 24.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.68 ' CG ' HH11 ' N' ' 13' ' ' ARG . 3.6 mtt-85 -124.38 2.73 8.43 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.764 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.695 ' O ' HG23 ' N' ' 5' ' ' VAL . 66.0 t80 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -73.43 -28.38 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.031 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -71.62 -48.1 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pt -70.52 -31.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.244 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.695 HG23 ' O ' ' N' ' 1' ' ' PHE . 54.7 t -71.48 -27.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -68.12 -45.02 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.623 ' CB ' HH11 ' N' ' 7' ' ' ARG . 0.0 OUTLIER -68.63 -40.47 80.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.271 -179.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.468 ' O ' HD22 ' N' ' 12' ' ' LEU . 1.0 OUTLIER -61.35 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.317 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 28.0 mmtm -52.3 -34.81 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.87 0.366 . . . . 0.0 110.158 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.731 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 12.9 t0 -71.04 -25.86 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -73.15 -52.35 14.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.955 179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.848 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -73.83 -35.18 64.81 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.141 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -118.7 -20.31 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.63 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.731 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.676 ' O ' HG23 ' N' ' 5' ' ' VAL . 29.9 t80 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -76.19 -28.63 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.48 ' HE ' ' CA ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -68.8 -48.22 64.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.988 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.47 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -69.58 -31.88 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.244 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.676 HG23 ' O ' ' N' ' 1' ' ' PHE . 58.4 t -70.63 -27.92 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.32 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.2 -45.21 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.611 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -60.59 -30.93 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.671 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tp -59.81 -34.43 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.416 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -73.81 -46.72 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 33.6 t0 -58.36 -25.57 62.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.086 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -62.09 -51.74 66.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.678 -179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.883 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.6 -42.92 60.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.792 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.705 0 O-C-N 120.7 -1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.579 ' CE2' ' CG2' ' N' ' 5' ' ' VAL . 23.4 t80 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -76.5 -37.6 56.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -65.85 -42.74 90.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.839 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.478 HG23 ' N ' ' N' ' 5' ' ' VAL . 15.0 tt -72.48 -42.37 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.845 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.579 ' CG2' ' CE2' ' N' ' 1' ' ' PHE . 29.8 t -67.82 -27.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -60.38 -29.78 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.76 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.58 -38.52 81.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.005 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 mm -66.76 -31.44 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.849 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -74.28 -48.85 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 19.4 t70 -56.02 -25.88 46.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.131 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -61.3 -50.71 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.518 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.91 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -74.67 -40.94 61.12 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.678 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.3 OUTLIER -112.68 -30.45 7.08 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.807 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.649 0 O-C-N 120.753 -1.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.606 ' O ' HG23 ' N' ' 5' ' ' VAL . 41.0 t80 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . 0.549 ' HZ2' ' HB3' ' N' ' 2' ' ' LYS . 0.6 OUTLIER -72.38 -47.07 52.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' N' ' 4' ' ' ILE . 1.4 ptm180 -59.34 -48.62 80.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.421 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.448 ' H ' ' HG3' ' N' ' 3' ' ' ARG . 56.0 mt -61.76 -34.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.606 HG23 ' O ' ' N' ' 1' ' ' PHE . 45.8 t -78.09 -28.06 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.614 ' CA ' HE21 ' N' ' 6' ' ' GLN . 0.0 OUTLIER -76.17 -24.73 54.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.352 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.14 -39.73 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.551 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.3 tp -65.98 -40.57 87.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.297 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 41.1 mttp -73.71 -43.66 58.6 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.781 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 5.1 t70 -60.28 -25.61 65.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.88 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 1.1 t80 -63.28 -52.53 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.821 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.902 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -75.81 -37.6 58.95 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.8 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -113.54 -29.41 7.18 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.781 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.674 0 O-C-N 120.707 -1.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.644 ' O ' HG23 ' N' ' 5' ' ' VAL . 49.4 t80 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . 0.538 ' CD ' ' N ' ' N' ' 2' ' ' LYS . 0.9 OUTLIER -74.51 -28.85 61.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -72.16 -47.94 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' N' ' 1' ' ' PHE . 7.4 pt -71.05 -32.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.185 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.644 HG23 ' O ' ' N' ' 1' ' ' PHE . 39.6 t -69.26 -28.75 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.913 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' N' ' 10' ' ' ASP . 5.6 tp-100 -61.03 -45.54 94.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.16 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.499 ' HE ' ' CA ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -63.39 -48.47 77.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.965 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.616 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 87.2 mt -62.27 -44.43 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.406 ' HZ3' ' HB3' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.76 -35.3 64.98 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.768 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 13.8 t70 -65.58 -25.74 67.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.942 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.14 -52.05 60.95 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.514 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.945 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -67.38 -30.42 70.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.24 20.53 10.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.768 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 120.607 -1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.619 ' O ' HG23 ' N' ' 5' ' ' VAL . 45.6 t80 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -76.25 -28.81 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 11.9 ptp180 -73.38 -45.37 55.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.888 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.449 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -71.0 -32.22 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.976 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.619 HG23 ' O ' ' N' ' 1' ' ' PHE . 48.1 t -71.36 -27.98 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.921 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.626 ' NE2' ' HZ1' ' N' ' 9' ' ' LYS . 0.2 OUTLIER -62.72 -33.41 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.124 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -73.46 -30.75 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.009 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.597 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 58.1 mt -62.57 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.189 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.626 ' HZ1' ' NE2' ' N' ' 6' ' ' GLN . 6.2 ptpt -70.27 -43.69 69.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.278 0.561 . . . . 0.0 109.603 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.745 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 14.2 t70 -59.06 -25.78 64.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.208 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -65.05 -53.12 50.75 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.545 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.945 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -68.04 -28.37 67.33 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' O ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -121.06 21.67 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.745 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 120.668 -1.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.679 ' O ' HG23 ' N' ' 5' ' ' VAL . 54.0 t80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -73.99 -28.64 61.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.364 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.677 HH11 ' CG ' ' N' ' 3' ' ' ARG . 3.7 mtt-85 -71.81 -48.2 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.409 HD13 HG21 ' N' ' 4' ' ' ILE . 7.2 pt -70.57 -31.82 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.23 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.679 HG23 ' O ' ' N' ' 1' ' ' PHE . 53.9 t -70.85 -27.73 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.178 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -66.18 -45.11 82.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -55.69 -32.98 63.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.075 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' N' ' 9' ' ' LYS . 0.9 OUTLIER -61.68 -48.38 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.593 -179.486 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.495 ' N ' ' CG2' ' N' ' 8' ' ' ILE . 9.7 mtmt -52.43 -29.3 23.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.889 0.376 . . . . 0.0 110.044 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.684 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 13.7 t70 -76.0 -26.13 56.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.904 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -74.28 -52.45 12.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.833 179.711 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.866 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -76.19 -34.16 59.31 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -125.08 -4.31 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.684 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.574 0 O-C-N 120.531 -1.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.504 ' O ' HG23 ' N' ' 5' ' ' VAL . 52.1 t80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -60.62 -36.11 77.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.652 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.1 OUTLIER -71.89 -41.19 68.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.544 HD12 ' H ' ' N' ' 4' ' ' ILE . 4.9 mp -72.81 -34.54 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.01 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.504 HG23 ' O ' ' N' ' 1' ' ' PHE . 44.5 t -70.22 -27.48 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.201 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.436 HE21 ' HD3' ' N' ' 9' ' ' LYS . 0.9 OUTLIER -66.41 -39.73 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.412 ' HA ' ' HE ' ' N' ' 7' ' ' ARG . 0.6 OUTLIER -73.49 -37.33 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.015 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.621 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 1.6 tt -70.03 -37.08 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.729 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.436 ' HD3' HE21 ' N' ' 6' ' ' GLN . 2.3 ptmm? -73.58 -39.37 64.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.033 0.445 . . . . 0.0 109.992 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.75 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 47.5 t0 -62.05 -25.67 67.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.151 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -64.79 -52.54 56.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 -179.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.952 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.39 -28.96 67.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.667 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -122.16 20.91 10.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.503 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.75 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.572 0 O-C-N 120.608 -1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.759 ' CZ ' HG21 ' N' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -63.21 -28.64 70.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.764 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -65.91 -48.84 70.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.355 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.454 ' H ' HG22 ' N' ' 4' ' ' ILE . 0.0 OUTLIER -65.96 -33.76 65.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.759 HG21 ' CZ ' ' N' ' 1' ' ' PHE . 60.7 t -66.36 -33.72 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.139 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.17 -43.76 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.67 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -52.63 -46.93 67.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.175 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.564 HD12 ' N ' ' N' ' 8' ' ' ILE . 2.3 mp -61.54 -50.09 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -52.62 -28.69 22.36 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.135 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.735 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 32.7 t70 -76.28 -26.23 55.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.183 0.516 . . . . 0.0 109.86 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' N' ' 8' ' ' ILE . 0.6 OUTLIER -67.73 -48.14 67.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.887 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.23 -44.62 59.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.696 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.672 ' CG ' HH11 ' N' ' 13' ' ' ARG . 0.0 OUTLIER -121.09 -11.46 8.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.716 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.735 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.63 -1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.599 ' O ' HG23 ' N' ' 5' ' ' VAL . 77.1 t80 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -76.29 -28.66 57.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.246 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 9.4 ptm180 -73.59 -44.14 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.401 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 5.8 pt -73.44 -34.91 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.915 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.599 HG23 ' O ' ' N' ' 1' ' ' PHE . 39.7 t -68.19 -27.74 38.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.674 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' N' ' 10' ' ' ASP . 0.4 OUTLIER -58.26 -45.11 88.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.228 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 7' ' ' ARG . 3.6 mtt-85 -55.42 -50.96 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.591 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 30.2 mm -63.92 -40.92 90.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -36.53 65.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.826 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 7.0 t70 -65.26 -24.84 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -66.61 -52.96 39.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.124 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.881 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.4 mm? -73.36 -32.12 64.33 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -120.9 8.93 10.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.826 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.658 0 O-C-N 120.541 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.568 ' O ' HG23 ' N' ' 5' ' ' VAL . 40.3 t80 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.87 -34.84 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -61.47 -48.18 82.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 86.3 mt -67.45 -31.59 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.231 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.568 HG23 ' O ' ' N' ' 1' ' ' PHE . 67.4 t -73.59 -27.54 23.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.017 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' N' ' 6' ' ' GLN . 0.0 OUTLIER -66.0 -45.14 82.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.782 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -56.13 -30.7 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.522 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 29.7 mt -65.91 -50.42 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.266 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -57.84 -31.34 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.717 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 50.1 t0 -72.95 -25.82 61.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -70.44 -51.84 26.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.151 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.797 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.8 mm? -75.12 -37.37 61.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.485 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -120.38 -14.31 8.74 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.717 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.298 -1.641 0 O-C-N 120.633 -1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.502 ' O ' HG23 ' N' ' 5' ' ' VAL . 42.9 t80 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' N' ' 2' ' ' LYS . 19.9 pttp -70.27 -29.11 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.676 HH11 ' CG ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -74.79 -42.4 58.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.477 HD12 ' H ' ' N' ' 4' ' ' ILE . 4.5 mp -73.29 -31.62 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.968 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.502 HG23 ' O ' ' N' ' 1' ' ' PHE . 20.5 t -70.32 -28.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.876 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.402 ' CA ' HE21 ' N' ' 6' ' ' GLN . 0.3 OUTLIER -64.34 -45.7 86.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.588 -179.254 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.72 -34.34 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.564 -0.455 . . . . 0.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.569 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 77.6 mt -74.42 -40.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.375 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . 0.555 ' HZ3' ' HB3' ' N' ' 9' ' ' LYS . 0.0 OUTLIER -73.91 -36.19 64.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.42 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.757 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 5.9 t70 -65.76 -25.7 67.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.355 0.597 . . . . 0.0 109.807 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -64.15 -52.13 60.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.703 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.907 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.3 mm? -74.93 -40.7 60.67 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.68 -15.38 8.94 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.757 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.297 -1.677 0 O-C-N 120.622 -1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.582 ' O ' HG23 ' N' ' 5' ' ' VAL . 63.2 t80 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -76.04 -28.7 57.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.376 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.571 ' NE ' ' O ' ' N' ' 3' ' ' ARG . 0.0 OUTLIER -73.84 -46.31 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 -179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 5.7 pt -71.87 -31.45 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.582 HG23 ' O ' ' N' ' 1' ' ' PHE . 40.7 t -71.97 -27.3 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.342 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . 0.423 ' HB3' HH21 ' N' ' 3' ' ' ARG . 23.2 tp60 -68.3 -45.19 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.62 -35.19 72.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.624 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 75.6 mt -65.13 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.117 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -74.33 -43.36 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.699 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 32.4 t0 -60.46 -26.94 67.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.088 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.3 OUTLIER -59.24 -50.74 72.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.917 -179.738 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.948 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -68.52 -22.47 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.963 0.411 . . . . 0.0 111.002 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -115.52 14.74 16.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.699 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.569 0 O-C-N 120.699 -1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.752 ' CZ ' HG21 ' N' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -66.45 -28.77 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.537 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.64 -48.74 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.062 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.428 HG13 ' N ' ' N' ' 5' ' ' VAL . 17.7 pt -67.23 -41.48 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.486 . . . . 0.0 109.82 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.752 HG21 ' CZ ' ' N' ' 1' ' ' PHE . 75.0 t -58.91 -29.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.14 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -65.0 -45.32 86.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -55.8 -43.25 76.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.457 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 2.4 mp -62.46 -50.34 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.193 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.41 -31.93 68.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.962 0.411 . . . . 0.0 110.054 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.732 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 36.6 t0 -72.9 -25.69 61.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.972 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.6 OUTLIER -69.88 -51.94 28.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.184 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.813 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.7 mm? -75.31 -37.74 60.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.583 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -129.43 7.11 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.732 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.591 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.638 ' O ' HG23 ' N' ' 5' ' ' VAL . 68.7 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -76.15 -28.59 57.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.219 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -73.58 -45.3 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.75 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 pt -72.36 -33.45 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.638 HG23 ' O ' ' N' ' 1' ' ' PHE . 41.2 t -68.96 -27.26 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.853 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -62.42 -45.42 93.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.025 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.11 -33.69 65.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.44 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.512 ' O ' ' CD2' ' N' ' 12' ' ' LEU . 33.1 mm -69.22 -51.59 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -32.38 63.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.744 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 20.5 t70 -71.09 -25.43 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.182 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.5 OUTLIER -71.98 -51.72 20.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.823 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.901 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.5 mm? -70.48 -30.02 66.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.397 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' N' ' 13' ' ' ARG . 3.6 mtt-85 -120.06 12.48 11.94 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.744 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.576 0 O-C-N 120.599 -1.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 1' ' ' PHE . . . . . 0.648 ' O ' HG23 ' N' ' 5' ' ' VAL . 61.4 t80 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -76.2 -28.54 57.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.05 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 3' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' N' ' 4' ' ' ILE . 6.7 ptm180 -72.33 -46.01 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.921 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 4' ' ' ILE . . . . . 0.445 ' N ' ' CG ' ' N' ' 3' ' ' ARG . 7.6 pt -71.49 -34.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.12 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 5' ' ' VAL . . . . . 0.648 HG23 ' O ' ' N' ' 1' ' ' PHE . 55.1 t -67.98 -27.57 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 6' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -58.93 -42.72 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 7' ' ' ARG . . . . . 0.673 HH11 ' CG ' ' N' ' 7' ' ' ARG . 0.0 OUTLIER -52.15 -32.42 35.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.364 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' N' N ' 8' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' N' ' 11' ' ' PHE . 20.9 mm -68.65 -50.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.249 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -57.55 -30.23 65.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 109.954 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 10' ' ' ASP . . . . . 0.793 ' O ' ' N ' ' N' ' 14' ' ' NH2 . 9.6 t70 -73.25 -25.33 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.059 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' N' ' 11' ' ' PHE . 0.4 OUTLIER -69.48 -49.88 50.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' N' N ' 12' ' ' LEU . . . . . 0.864 HD22 ' H ' ' N' ' 12' ' ' LEU . 1.6 mm? -72.46 -39.42 67.78 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 13' ' ' ARG . . . . . 0.725 HH11 ' CB ' ' N' ' 13' ' ' ARG . 0.0 OUTLIER -125.6 3.7 7.56 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' N' N ' 14' ' ' NH2 . . . . . 0.793 ' N ' ' O ' ' N' ' 10' ' ' ASP . . . . . . . . 0 C--N 1.299 -1.618 0 O-C-N 120.488 -1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_