data_1zrw_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 1zrw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.141 0.496 . . . . 3.64 111.841 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.97 -43.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 2.23 110.491 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -44.47 -46.89 9.9 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.146 -0.479 . . . . 2.85 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -49.7 -42.1 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.342 0.591 . . . . 4.41 110.132 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.8 -42.52 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.825 -0.625 . . . . 2.16 110.012 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.99 -50.49 73.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.771 -0.65 . . . . 3.14 110.827 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.6 pp -64.69 -37.1 86.44 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.784 -0.366 . . . . 3.33 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 12' ' ' LEU . 67.2 mt -66.85 -45.83 76.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 2.72 111.202 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -77.22 -53.47 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 4.13 111.004 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 16' ' ' LEU . 22.5 mt-30 -65.95 -20.27 66.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 3.98 111.226 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 15' ' ' GLN . 58.3 tp -11.74 -65.46 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.208 0.603 . . . . 4.58 112.533 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 56.4 mtp85 -57.99 -60.5 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.202 0.525 . . . . 7.03 110.176 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' GLN . 67.3 mt -47.95 -38.18 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 3.76 110.178 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.31 -56.61 13.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 4.7 111.661 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -60.49 -37.46 81.14 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.408 -0.517 . . . . 7.81 110.3 -179.381 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD11 ' CD ' ' A' ' 20' ' ' ARG . 7.1 mp -65.08 -48.86 72.25 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.915 -0.402 . . . . 5.36 109.915 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.7 tp -62.67 -62.66 1.58 Allowed 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.995 -0.548 . . . . 7.32 110.011 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.53 -0.759 . . . . 6.95 109.175 178.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.441 0.638 . . . . 3.64 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.6 -45.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.35 -0.841 . . . . 2.23 109.46 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.03 -50.86 34.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 2.85 110.226 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HZ3' ' CD2' ' A' ' 13' ' ' LEU . 6.2 tmtt? -64.63 -43.63 93.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.251 0.548 . . . . 4.41 109.562 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.4 -41.41 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 2.16 109.651 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.73 -46.56 81.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.881 -0.785 . . . . 3.14 108.881 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' LEU . 87.7 mt -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 3.33 109.293 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' CD2' ' HZ3' ' A' ' 9' ' ' LYS . 85.1 mt -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 2.72 110.332 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.19 -46.69 79.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.456 0.646 . . . . 4.13 109.564 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' ILE . 26.1 mt-30 -69.31 -21.6 63.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.027 -0.988 . . . . 3.98 110.638 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 6.3 tt -35.65 -54.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 4.58 111.989 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' HD2' ' A' ' 20' ' ' ARG . 37.9 ptt85 -58.77 -33.55 70.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.314 . . . . 7.03 111.58 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 59.8 mt -85.21 -54.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.27 0.47 . . . . 3.76 112.27 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 27.0 ptm -41.92 -34.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.05 0.759 . . . . 4.7 113.05 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -46.55 -35.44 5.79 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.264 -0.574 . . . . 7.81 110.382 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -56.64 -37.39 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 5.36 110.404 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.81 -40.95 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 7.32 109.716 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.258 0.552 . . . . 6.95 110.207 178.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.404 0.621 . . . . 3.64 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 176.57 -47.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 2.23 109.458 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.79 -45.17 14.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.711 -0.677 . . . . 2.85 110.345 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -48.82 -40.45 29.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 4.41 110.196 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.3 -45.71 34.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 2.16 109.486 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.31 -38.01 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.267 -0.879 . . . . 3.14 110.44 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 97.8 mt -45.12 -47.01 12.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 3.33 110.155 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -47.19 -42.24 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 2.72 110.278 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -76.75 -42.93 39.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 4.13 109.699 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -53.56 -29.0 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 3.98 109.753 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 93.7 mt -55.59 -41.74 73.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 4.58 109.872 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HG3' HH11 ' A' ' 17' ' ' ARG . 19.5 mmt85 -68.99 -47.71 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.776 -0.647 . . . . 7.03 110.069 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.458 ' C ' ' H ' ' A' ' 20' ' ' ARG . 51.4 mm -60.53 -40.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 3.76 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.13 42.8 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.938 -0.574 . . . . 4.7 111.172 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 18' ' ' ILE . 34.5 ttm-85 -175.96 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.985 -0.746 . . . . 7.81 108.985 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.15 43.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 5.36 110.083 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 20' ' ' ARG . 60.8 tp 178.95 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 7.32 110.618 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 112.529 0.566 . . . . 6.95 112.529 -179.456 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.441 0.638 . . . . 3.64 111.214 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' ' 10' ' ' VAL . . . -161.84 -54.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.05 -0.722 . . . . 2.23 109.05 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 33.3 t70 -50.79 -44.75 58.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.438 -0.801 . . . . 2.85 109.147 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -57.64 -37.77 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 4.41 109.412 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 7' ' ' ALA . 33.2 t -54.75 -37.61 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 109.163 -0.68 . . . . 2.16 109.163 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 2.8 tm? -63.79 -43.01 97.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.42 -0.956 . . . . 3.14 108.42 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 89.7 mt -61.53 -36.95 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.658 -0.701 . . . . 3.33 110.46 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.95 -38.73 70.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.253 0.549 . . . . 2.72 109.816 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -84.39 -56.22 3.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 4.13 111.057 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 43.9 mm-40 51.31 18.25 0.6 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.114 -0.494 . . . . 3.98 111.276 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.72 -47.65 80.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.16 -0.473 . . . . 4.58 109.8 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -54.66 -44.52 73.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.615 -0.513 . . . . 7.03 109.615 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 20' ' ' ARG . 41.4 mm -61.73 -48.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.018 -0.734 . . . . 3.76 109.018 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.3 mmt -76.3 40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 4.7 110.109 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -154.24 -52.36 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.259 -1.015 . . . . 7.81 108.259 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.63 -38.64 88.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 107.938 -1.134 . . . . 5.36 107.938 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -108.62 121.77 45.7 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.638 -1.165 . . . . 7.32 108.461 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.045 0.45 . . . . 6.95 110.442 -178.807 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 114.21 1.189 . . . . 3.64 114.21 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 70.81 -50.38 0.68 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.826 1.047 . . . . 2.23 113.826 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' ALA . 34.1 t70 -39.24 -38.0 0.47 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.577 -0.527 . . . . 2.85 109.577 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.72 -53.32 57.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.735 -0.666 . . . . 4.41 110.783 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' ALA . 72.9 t -56.99 -47.25 83.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.483 0.659 . . . . 2.16 109.432 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 39.4 tp -60.37 -37.93 82.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.008 -0.997 . . . . 3.14 109.889 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.49 -62.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.064 0.459 . . . . 3.33 110.993 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -57.4 -41.55 80.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 2.72 111.512 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' N ' HD11 ' A' ' 13' ' ' LEU . 28.5 mtpp -72.68 -49.27 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.73 -0.388 . . . . 4.13 110.949 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.8 tt0 -50.85 -39.37 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.92 -0.4 . . . . 3.98 109.92 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.9 -39.31 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.354 -0.61 . . . . 4.58 109.354 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.08 -44.36 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.329 -0.851 . . . . 7.03 110.14 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.66 -50.32 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 3.76 110.161 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 20.5 mmt -56.57 -42.61 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.234 0.54 . . . . 4.7 109.682 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -99.09 32.61 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 7.81 110.309 178.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.68 -33.89 56.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.293 0.568 . . . . 5.36 110.224 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.2 mt -159.24 -57.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.032 -0.985 . . . . 7.32 108.799 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 6.95 111.672 178.737 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.507 0.67 . . . . 3.64 110.581 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.77 -47.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.305 -0.861 . . . . 2.23 108.94 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 22.7 t70 -55.43 -45.34 76.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.363 -0.835 . . . . 2.85 109.463 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.72 -36.54 57.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.74 . . . . 4.41 109.884 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 59.2 t -55.97 -44.31 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.603 -0.726 . . . . 2.16 111.777 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 3.9 pp -67.02 -38.29 85.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.936 0.347 . . . . 3.14 111.936 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 3.8 pp -78.66 -41.17 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 3.33 111.739 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 3.4 pp -59.54 -31.31 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.99 -0.444 . . . . 2.72 110.962 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.9 14.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.948 -0.301 . . . . 4.13 111.559 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.49 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 26.4 pt20 -162.66 -59.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.097 -0.241 . . . . 3.98 111.31 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.2 tp -57.62 -47.37 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.498 . . . . 4.58 110.0 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -65.59 -47.84 74.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 7.03 109.857 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -51.66 -41.45 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 3.76 110.141 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.6 ttm -41.24 -32.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 4.7 111.213 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 38.4 ptt180 -45.72 -44.76 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.421 . . . . 7.81 111.261 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.6 pp -64.74 -32.86 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 5.36 110.946 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.8 tp -77.75 -51.41 10.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.164 -0.471 . . . . 7.32 110.992 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 6.95 110.902 -179.695 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 91.2 t . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 122.252 1.025 . . . . 3.64 109.621 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.68 -43.68 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.214 -1.357 . . . . 2.23 107.404 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.52 -50.93 32.59 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.942 -1.027 . . . . 2.85 109.509 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 4.3 tmmm? -55.62 -48.78 74.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.621 -0.718 . . . . 4.41 110.257 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' A' ' 12' ' ' LEU . 8.7 p -66.36 -48.32 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 2.16 110.601 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.06 39.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 3.14 111.803 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD13 ' C ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -161.34 -49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.615 . . . . 3.33 109.338 178.432 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' N ' HD13 ' A' ' 12' ' ' LEU . 87.5 mt -82.02 -55.03 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.214 -0.662 . . . . 2.72 109.214 178.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.19 -43.57 73.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.143 -0.688 . . . . 4.13 109.143 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.11 -54.33 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 3.98 110.808 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 95.5 mt -59.2 -43.28 92.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.207 0.527 . . . . 4.58 109.766 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -57.01 -43.93 82.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.754 -0.657 . . . . 7.03 109.606 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.12 -39.85 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 3.76 110.099 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.651 ' SD ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.46 -39.77 70.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 4.7 109.902 179.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.651 ' HG2' ' SD ' ' A' ' 19' ' ' MET . 9.9 mmp_? -132.05 55.68 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.531 0.681 . . . . 7.81 110.883 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 3.0 pp -74.78 45.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.156 -0.929 . . . . 5.36 110.763 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 20' ' ' ARG . 91.7 mt 53.01 28.54 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.449 0.642 . . . . 7.32 110.218 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 114.838 -1.073 . . . . 6.95 111.451 179.357 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 121.142 0.496 . . . . 3.64 111.357 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.59 29.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.435 -0.95 . . . . 2.23 108.435 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -155.98 -53.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.763 -1.562 . . . . 2.85 108.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -65.16 -45.84 83.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 4.41 110.125 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -50.11 -49.58 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.331 -0.618 . . . . 2.16 109.331 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.68 -41.64 87.78 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.472 -0.786 . . . . 3.14 109.438 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -50.12 -48.59 53.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 3.33 109.935 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -40.68 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.538 . . . . 2.72 110.055 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.31 -42.42 99.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.414 0.626 . . . . 4.13 109.494 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ILE . 26.3 mt-30 -61.63 -33.12 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.232 -0.895 . . . . 3.98 110.605 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -40.05 -49.04 2.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.999 0.428 . . . . 4.58 110.057 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -49.93 -47.51 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.334 -0.617 . . . . 7.03 109.334 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLN . 54.2 mt -64.82 -42.35 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.478 -0.783 . . . . 3.76 110.177 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.558 ' HB3' ' NH2' ' A' ' 20' ' ' ARG . 7.3 mmt -54.78 -36.92 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 4.7 109.276 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.558 ' NH2' ' HB3' ' A' ' 19' ' ' MET . 14.8 mmp_? -94.85 31.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.562 -0.745 . . . . 7.81 109.87 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 22' ' ' LEU . 3.9 pp -52.75 -38.02 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 5.36 110.693 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 2.3 tm? -174.4 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.97 -0.559 . . . . 7.32 110.11 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 6.95 110.381 179.296 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.914 0.864 . . . . 3.64 109.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -170.35 -39.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.339 -1.3 . . . . 2.23 108.246 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -59.29 -53.26 60.29 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.285 -0.871 . . . . 2.85 109.472 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.07 -49.54 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.714 . . . . 4.41 110.027 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.472 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 t -52.3 -50.9 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.9 -0.591 . . . . 2.16 109.787 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -55.95 -51.85 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 3.14 110.767 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.2 mt -56.39 -43.36 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 3.33 110.379 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 15' ' ' GLN . 94.8 mt -62.82 -51.83 65.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.948 -0.569 . . . . 2.72 110.115 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 10.6 ptmm? -75.89 31.93 0.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.907 0.384 . . . . 4.13 110.907 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 13' ' ' LEU . 4.8 tp60 -140.93 -57.34 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.084 -0.709 . . . . 3.98 109.084 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.2 tt -53.24 -47.19 69.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.013 -0.736 . . . . 4.58 109.013 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -55.35 -37.75 67.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.645 -0.707 . . . . 7.03 109.876 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.21 -47.95 89.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 109.863 -0.421 . . . . 3.76 109.863 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.24 -39.88 84.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.484 0.659 . . . . 4.7 109.845 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -67.3 -49.43 64.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.063 -0.971 . . . . 7.81 112.334 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.14 -40.8 36.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.421 0.526 . . . . 5.36 112.421 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 2.0 tm? -48.58 -52.21 23.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.623 -0.262 . . . . 7.32 111.252 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 6.95 111.573 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 121.562 0.696 . . . . 3.64 109.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 72.02 -60.89 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.972 -1.013 . . . . 2.23 110.527 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 55.8 m-20 -48.81 -46.21 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.365 0.603 . . . . 2.85 109.729 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -52.05 -44.0 64.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 4.41 110.163 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.53 -42.01 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.424 -0.584 . . . . 2.16 109.424 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 45.9 tp -57.41 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.609 -0.723 . . . . 3.14 109.763 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.78 -41.64 97.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.502 . . . . 3.33 109.778 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.3 -38.97 88.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 2.72 111.679 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.68 7.17 4.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.676 -0.409 . . . . 4.13 111.652 -179.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 6.4 pt20 -162.19 43.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.243 0.544 . . . . 3.98 110.661 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.09 -52.82 53.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 4.58 110.166 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 53.3 ttm-85 -63.43 -43.28 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.781 -0.645 . . . . 7.03 109.536 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 15' ' ' GLN . 72.0 mt -58.8 -42.23 84.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 3.76 110.191 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.8 tpt -61.79 -55.29 31.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.978 -0.555 . . . . 4.7 111.11 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.611 ' C ' ' H ' ' A' ' 22' ' ' LEU . 17.0 ptp180 -56.08 -44.85 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.573 -0.899 . . . . 7.81 108.573 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.97 28.4 0.06 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.57 0.7 . . . . 5.36 109.627 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.611 ' H ' ' C ' ' A' ' 20' ' ' ARG . 29.0 tp -157.31 38.7 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.161 -1.051 . . . . 7.32 108.161 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 114.605 -1.179 . . . . 6.95 110.089 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 108.517 -0.919 . . . . 3.64 108.517 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.94 -53.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.509 -1.223 . . . . 2.23 109.959 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.6 p-10 -61.33 -43.92 98.06 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.61 -0.885 . . . . 2.85 108.61 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 6.4 mtpm? -52.01 -45.8 64.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 4.41 109.093 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -54.11 -44.21 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.563 -0.744 . . . . 2.16 109.248 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' GLN . 50.2 tp -58.11 -43.73 87.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.226 -0.657 . . . . 3.14 109.226 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -57.3 -37.85 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 3.33 110.476 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.1 mt -50.54 -37.9 41.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 2.72 111.116 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -138.52 32.74 2.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.084 0.468 . . . . 4.13 110.975 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.8 pt20 -60.28 -22.54 63.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 3.98 110.21 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 2.8 tm? -46.22 -60.47 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 4.58 111.128 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 44.2 ttt85 -81.07 -51.76 8.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 7.03 110.941 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.417 HD11 HG23 ' A' ' 18' ' ' ILE . 60.6 mt -47.83 -43.04 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.501 -0.318 . . . . 3.76 111.314 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.411 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 17.3 tpt -53.97 -37.27 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 4.7 110.897 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 20.4 ptp180 -97.36 35.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 7.81 110.57 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 17' ' ' ARG . 96.4 mt -135.4 23.28 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 5.36 110.796 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.61 -49.63 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.636 -0.711 . . . . 7.32 109.199 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.335 -0.848 . . . . 6.95 110.754 179.087 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 121.495 0.664 . . . . 3.64 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 168.13 -52.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.222 -0.899 . . . . 2.23 109.677 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -52.63 -40.61 62.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 2.85 110.576 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -52.9 -42.04 64.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 4.41 110.619 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -49.5 -50.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.387 0.613 . . . . 2.16 109.666 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.96 -38.44 82.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.865 . . . . 3.14 109.431 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.48 -36.43 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.446 -0.797 . . . . 3.33 109.9 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -58.84 -30.98 68.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 2.72 110.18 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -167.68 94.41 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.198 0.523 . . . . 4.13 111.554 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -168.35 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.863 -0.791 . . . . 3.98 108.863 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.65 -48.27 27.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.187 -0.671 . . . . 4.58 109.187 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -33.14 26.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.639 -0.71 . . . . 7.03 109.843 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -56.48 -43.0 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.606 -0.724 . . . . 3.76 109.171 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.91 47.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.424 -0.807 . . . . 4.7 109.926 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -165.77 -45.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.935 -0.575 . . . . 7.81 110.421 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 22' ' ' LEU . 3.2 pp 35.82 46.62 0.34 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.276 0.56 . . . . 5.36 110.089 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 21' ' ' LEU . 2.4 tm? -18.02 117.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 114.788 -1.096 . . . . 7.32 111.696 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 114.825 -1.08 . . . . 6.95 109.658 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 91.5 t . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.378 0.608 . . . . 3.64 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 173.92 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.352 -0.981 . . . . 2.23 108.352 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.83 -50.04 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.936 -1.029 . . . . 2.85 109.779 178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -60.87 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.423 0.63 . . . . 4.41 109.516 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.0 -34.18 48.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 2.16 110.331 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -46.03 -36.29 5.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.236 -0.438 . . . . 3.14 109.913 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.516 -0.55 . . . . 3.33 109.516 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.83 -44.24 97.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.572 -0.74 . . . . 2.72 109.507 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.79 -48.28 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.64 -0.709 . . . . 4.13 109.959 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.16 -47.01 82.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 3.98 109.591 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.4 tt -49.77 -49.25 49.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.253 0.549 . . . . 4.58 109.521 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -52.26 -32.91 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 7.03 109.9 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 18' ' ' ILE . 66.6 mt -85.22 -30.76 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.319 -0.855 . . . . 3.76 110.911 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 23' ' ' THR . 68.1 mtt -56.54 -51.67 67.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 4.7 111.577 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -41.81 -27.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.564 0.221 . . . . 7.81 111.528 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.437 HD11 ' H ' ' A' ' 21' ' ' LEU . 6.7 mp -70.81 69.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 5.36 111.784 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp 67.01 10.9 8.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.413 0.894 . . . . 7.32 113.413 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' MET . 13.5 m . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 6.95 110.136 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 121.397 0.618 . . . . 3.64 111.669 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 172.95 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.479 -0.782 . . . . 2.23 109.429 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.69 -50.34 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 2.85 110.746 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -57.9 -44.08 86.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 4.41 110.988 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.47 -48.61 87.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.114 -0.699 . . . . 2.16 109.114 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 46.4 tp -52.94 -41.76 64.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.143 -0.935 . . . . 3.14 108.69 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.25 -48.11 83.15 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.012 -0.995 . . . . 3.33 109.952 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 82.1 mt -52.52 -56.28 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 2.72 111.388 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 11' ' ' LEU . 64.8 pttt -66.68 -44.12 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.83 -0.348 . . . . 4.13 110.79 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -50.35 -48.9 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 3.98 110.018 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 16' ' ' LEU . 9.2 mp -60.37 -43.27 96.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.87 -0.605 . . . . 4.58 109.89 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 99.8 mtt180 -56.13 -45.28 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.265 -0.643 . . . . 7.03 109.265 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -58.55 -40.62 79.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.477 -0.783 . . . . 3.76 110.445 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -53.06 -37.11 61.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.438 -0.578 . . . . 4.7 109.438 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' O ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.88 29.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.479 -0.782 . . . . 7.81 111.343 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -168.88 33.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.121 0.486 . . . . 5.36 111.085 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 tp 179.06 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.68 -0.691 . . . . 7.32 110.341 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 6.95 111.343 -179.768 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 6.5 p . . . . . 0 C--O 1.226 -0.171 0 CA-C-O 121.079 0.466 . . . . 3.64 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 69.88 -57.89 0.54 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.914 -0.585 . . . . 2.23 111.313 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.649 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -44.05 -34.06 1.64 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.562 0.696 . . . . 2.85 111.069 179.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 18.5 ptpt -50.04 -40.99 46.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.31 -0.859 . . . . 4.41 111.477 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 83.8 t -66.93 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 113.21 0.818 . . . . 2.16 113.21 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.649 ' CD2' ' HA ' ' A' ' 8' ' ' ASP . 1.7 pt? -60.44 -36.82 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.825 -0.75 . . . . 3.14 111.069 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp -49.68 -39.78 37.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 3.33 111.233 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -49.18 -29.92 6.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 2.72 111.831 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -111.83 -36.04 5.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 4.13 110.724 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -45.6 -44.7 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.594 . . . . 3.98 111.185 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.16 -39.13 27.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.252 0.549 . . . . 4.58 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -76.04 -43.5 43.63 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 7.03 109.594 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.95 -31.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.677 -0.692 . . . . 3.76 109.923 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.426 ' HG2' HH21 ' A' ' 20' ' ' ARG . 23.5 ttt -53.74 -19.21 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 4.7 110.182 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.575 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 1.7 mmp_? -81.35 6.41 14.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 7.81 110.423 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.25 -30.23 69.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.521 -0.763 . . . . 5.36 109.567 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -169.27 135.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.933 -1.031 . . . . 7.32 108.86 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.375 0.607 . . . . 6.95 110.551 -178.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 121.367 0.604 . . . . 3.64 111.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 75.02 -58.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.231 -0.895 . . . . 2.23 111.647 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 39.3 m-20 -49.22 -40.97 35.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.408 . . . . 2.85 110.435 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -54.24 -41.68 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.517 -0.549 . . . . 4.41 109.517 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.83 -44.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.643 -0.873 . . . . 2.16 108.643 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' A' ' 11' ' ' LEU . 1.7 tt -59.25 -39.51 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.389 -0.823 . . . . 3.14 109.199 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.42 -38.96 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.862 -0.608 . . . . 3.33 110.12 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.31 -50.83 68.59 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.692 -0.484 . . . . 2.72 109.692 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 28.2 ttpp -66.14 -41.72 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 4.13 109.237 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -56.42 -35.7 68.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.356 -0.838 . . . . 3.98 110.171 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 2.9 tm? -47.98 -43.14 29.31 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.154 -0.684 . . . . 4.58 109.154 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' LYS . 24.0 ttt180 -60.03 -47.2 86.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 7.03 109.522 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.61 -44.88 71.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 3.76 109.525 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.09 -43.78 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.531 -0.759 . . . . 4.7 110.26 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.84 -45.93 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 7.81 110.211 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.64 -42.09 64.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.88 -0.6 . . . . 5.36 110.323 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 tp -75.52 42.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 7.32 111.18 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 6.95 110.268 179.375 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.13 0.49 . . . . 3.64 110.551 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 75.5 -47.26 0.59 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.581 -0.736 . . . . 2.23 110.48 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -49.41 -39.97 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 2.85 110.241 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -52.64 -49.55 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 4.41 110.307 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.12 -45.71 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.771 . . . . 2.16 110.498 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -54.36 -48.74 71.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 3.14 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 12' ' ' LEU . 11.1 mp -66.41 -59.95 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 3.33 111.993 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -50.96 -43.09 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 2.72 110.748 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 27.7 ttpp -71.73 -42.45 67.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.333 0.587 . . . . 4.13 110.482 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -57.08 -43.27 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 3.98 110.706 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -44.67 -29.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 4.58 111.337 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -104.06 -51.81 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.691 0.282 . . . . 7.03 111.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.77 -30.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 3.76 110.978 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.9 ttt -43.57 -31.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 4.7 111.134 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 27.3 tpt180 -169.73 38.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 7.81 110.417 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 32.96 37.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.741 0.781 . . . . 5.36 110.88 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' ARG . 2.9 tm? 175.88 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.37 -1.344 . . . . 7.32 107.37 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 114.677 -1.147 . . . . 6.95 112.924 177.2 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.444 0.64 . . . . 3.64 110.701 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.74 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.447 -0.797 . . . . 2.23 108.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 11.6 t70 -70.53 -51.22 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.931 -1.031 . . . . 2.85 109.584 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.44 -39.5 85.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.938 -0.764 . . . . 4.41 108.938 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.32 -56.38 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 114.953 -1.021 . . . . 2.16 111.263 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 8' ' ' ASP . 3.2 pp -58.87 -34.8 72.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.664 -0.414 . . . . 3.14 109.949 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.404 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 4.7 tt -64.07 -59.49 4.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 3.33 111.102 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -63.43 -38.64 91.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.18 0.514 . . . . 2.72 110.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 48.5 tttp -61.98 -50.55 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.775 -0.648 . . . . 4.13 109.841 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -48.96 -45.29 41.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.252 -0.885 . . . . 3.98 110.508 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.67 -49.29 65.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.272 0.558 . . . . 4.58 109.564 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -65.44 -38.51 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.689 -0.687 . . . . 7.03 110.364 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.26 -46.9 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 3.76 110.037 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.1 tpt -69.26 -51.47 37.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 4.7 110.27 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -55.13 -35.77 65.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 7.81 110.278 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.27 31.32 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 5.36 110.291 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 tp -56.96 -48.21 78.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.338 0.59 . . . . 7.32 109.54 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.6 p . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.085 -0.961 . . . . 6.95 109.621 178.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' A' ' 6' ' ' VAL . 79.9 t . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 121.731 0.777 . . . . 3.64 109.425 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.84 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.863 -1.062 . . . . 2.23 109.39 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.67 -58.29 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.764 . . . . 2.85 110.39 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.6 -44.22 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 4.41 110.277 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.14 -54.43 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.968 -0.56 . . . . 2.16 110.088 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.09 -37.39 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 3.14 109.769 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -53.0 -46.19 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 3.33 109.851 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.25 -27.64 67.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 2.72 110.483 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -72.1 -49.88 32.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 4.13 110.298 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' LEU . 20.9 pt20 -73.63 -36.6 65.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.322 -0.853 . . . . 3.98 111.247 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' GLN . 64.9 tp -22.76 -61.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 4.58 112.681 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -56.19 -52.02 65.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 7.03 111.187 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLN . 52.0 mt -58.89 -41.44 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 3.76 109.984 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.537 ' SD ' ' C ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -52.78 -36.31 57.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.342 -0.614 . . . . 4.7 109.342 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -65.0 -44.53 88.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.965 -0.754 . . . . 7.81 108.965 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.45 -28.79 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 5.36 109.763 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.28 -10.29 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.275 -0.875 . . . . 7.32 111.176 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.832 0.348 . . . . 6.95 110.263 179.792 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.799 0.809 . . . . 3.64 109.633 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.37 -41.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.706 -1.134 . . . . 2.23 108.138 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.82 -44.05 66.4 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 109.168 -0.679 . . . . 2.85 109.168 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.7 -17.84 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.377 -0.829 . . . . 4.41 110.989 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.25 -51.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 2.16 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.19 -50.26 73.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 3.14 111.098 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -53.84 -24.44 15.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.343 0.497 . . . . 3.33 112.343 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -51.7 -20.2 1.97 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.871 0.367 . . . . 2.72 110.763 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -156.3 -44.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 4.13 110.601 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -73.0 54.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 3.98 111.225 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.9 tp -158.11 -72.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.976 -0.75 . . . . 4.58 108.976 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.53 -50.16 74.67 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.197 -0.668 . . . . 7.03 109.197 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.7 mt -49.09 -41.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.261 -0.644 . . . . 3.76 109.261 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -66.3 -43.43 86.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.379 -0.828 . . . . 4.7 109.784 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 22' ' ' LEU . 41.2 ttt85 -55.08 -42.81 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.462 -0.57 . . . . 7.81 109.462 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 21' ' ' LEU . 3.4 mm? -79.65 30.03 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 5.36 109.903 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 20' ' ' ARG . 28.3 tp 44.9 35.68 1.61 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.831 -0.622 . . . . 7.32 110.602 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 6.95 110.937 -179.801 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 8.5 p . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 121.513 0.673 . . . . 3.64 111.188 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.91 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.596 -0.729 . . . . 2.23 109.18 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.617 ' C ' ' H ' ' A' ' 10' ' ' VAL . 48.8 m-20 -55.71 -41.74 74.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.312 -0.625 . . . . 2.85 109.312 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -70.2 28.12 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.711 -0.677 . . . . 4.41 110.778 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 8' ' ' ASP . 54.1 t -150.0 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.758 -1.201 . . . . 2.16 107.758 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? -59.22 -48.09 82.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.77 -1.104 . . . . 3.14 109.038 177.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 14' ' ' LYS . 94.3 mt -55.1 -43.54 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.9 -0.778 . . . . 3.33 108.9 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.66 37.2 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.249 -0.887 . . . . 2.72 110.272 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 12' ' ' LEU . 22.7 tptm -160.04 -47.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.538 -0.756 . . . . 4.13 109.33 -179.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -55.87 -35.46 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 3.98 109.55 178.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.434 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 4.7 tt -51.56 -56.0 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 4.58 110.296 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 11.5 ptp180 -62.2 -31.06 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.176 0.512 . . . . 7.03 109.747 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 79.6 mt -72.93 -27.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 3.76 110.115 178.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.451 ' SD ' HD12 ' A' ' 22' ' ' LEU . 16.5 tpt -47.75 -47.19 30.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 4.7 111.586 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HD2' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.4 -25.47 35.86 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.476 -0.49 . . . . 7.81 111.105 -179.72 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 56.0 tp -68.14 -32.75 73.25 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.093 -0.706 . . . . 5.36 109.093 178.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 HD12 ' SD ' ' A' ' 19' ' ' MET . 59.4 mt -74.28 46.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.223 -0.899 . . . . 7.32 110.509 179.465 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 6.95 111.261 -179.793 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.458 0.647 . . . . 3.64 110.336 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.43 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.05 -0.977 . . . . 2.23 109.023 -179.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.61 -45.78 14.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.24 -0.891 . . . . 2.85 110.896 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -52.14 -49.92 62.77 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.555 -0.293 . . . . 4.41 110.949 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.38 -42.8 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 2.16 110.131 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' CD2' ' C ' ' A' ' 11' ' ' LEU . 4.9 tt -63.67 -47.9 79.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.695 -0.684 . . . . 3.14 109.94 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.11 -47.79 84.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 3.33 111.107 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.93 -47.29 71.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.071 0.462 . . . . 2.72 110.544 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -67.78 -48.39 66.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 4.13 109.957 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -53.54 -41.44 66.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.425 -0.807 . . . . 3.98 110.453 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.0 -41.41 34.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 4.58 109.837 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -72.16 -42.23 66.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.864 -0.607 . . . . 7.03 109.954 179.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' C ' ' H ' ' A' ' 20' ' ' ARG . 38.5 mm -52.72 -52.55 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.145 -0.687 . . . . 3.76 109.145 179.302 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -76.52 40.85 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 4.7 110.016 178.07 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -144.86 -58.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 7.81 109.459 179.705 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 18' ' ' ILE . 2.6 pt? -68.88 -41.44 78.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.444 -0.947 . . . . 5.36 108.444 178.403 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.4 mt -87.34 43.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.591 -0.731 . . . . 7.32 109.159 178.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.587 -0.733 . . . . 6.95 110.873 -178.879 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.46 0.028 0 CA-C-O 120.851 0.358 . . . . 3.64 111.296 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.25 -60.1 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.124 -0.695 . . . . 2.23 109.124 178.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -69.45 -47.67 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 2.85 109.811 178.349 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -74.6 38.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 4.41 111.147 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.498 ' H ' ' C ' ' A' ' 8' ' ' ASP . 74.0 t -160.32 -52.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 2.16 109.047 179.105 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -51.32 -46.96 62.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.553 -0.749 . . . . 3.14 109.833 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.4 -41.57 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.797 -0.638 . . . . 3.33 110.695 179.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 mt -51.28 -42.3 61.02 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.077 -0.712 . . . . 2.72 109.077 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 16' ' ' LEU . 22.7 tptm -79.72 -62.06 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.493 -0.776 . . . . 4.13 109.09 178.142 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 67.98 -41.13 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.008 0.744 . . . . 3.98 113.008 178.247 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 4.9 tt -28.34 -62.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 4.58 112.539 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -49.13 -43.6 41.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 7.03 111.379 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.472 HG22 HD12 ' A' ' 18' ' ' ILE . 63.5 mt -70.02 -42.08 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 3.76 110.198 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.3 ttm -48.88 -36.41 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 4.7 109.92 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 16.5 mtm105 -57.04 -43.41 81.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.952 -0.567 . . . . 7.81 110.186 179.159 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.39 -40.18 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.555 -0.748 . . . . 5.36 109.802 179.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -174.65 127.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.315 -0.857 . . . . 7.32 110.186 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.321 -0.644 0 CA-C-O 121.367 0.604 . . . . 6.95 110.078 179.261 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.729 0.776 . . . . 3.64 109.737 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -168.89 -39.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.991 -1.004 . . . . 2.23 109.728 -179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -51.06 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 2.85 110.267 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -74.52 48.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 4.41 111.693 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 11' ' ' LEU . 4.0 p -178.21 -35.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.142 -0.688 . . . . 2.16 109.142 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.507 ' N ' HG12 ' A' ' 10' ' ' VAL . 2.6 tm? -56.29 -46.44 79.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.892 -1.049 . . . . 3.14 110.128 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.35 -47.51 85.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 3.33 110.799 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.26 -54.26 33.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.12 0.486 . . . . 2.72 109.778 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.42 -40.96 96.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 4.13 110.118 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -52.52 -33.78 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.4 -0.818 . . . . 3.98 110.451 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 4.8 tt -50.34 -49.13 54.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.99 0.424 . . . . 4.58 110.485 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -60.69 -51.73 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 7.03 110.514 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.7 mt -57.84 -36.15 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.868 -0.605 . . . . 3.76 109.838 179.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.2 ttp -66.3 -49.88 65.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 4.7 110.322 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 22' ' ' LEU . 49.4 ttp85 -57.92 -40.07 79.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.639 -0.874 . . . . 7.81 108.639 178.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.49 43.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.999 -1.0 . . . . 5.36 110.032 179.027 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 20' ' ' ARG . 56.5 tp -172.8 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 7.32 109.859 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 6.95 111.521 179.392 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.023 0.44 . . . . 3.64 111.297 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 174.87 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 2.23 110.628 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -43.15 -45.97 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.85 110.986 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 88.4 tttt -58.83 -44.34 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.986 0.422 . . . . 4.41 110.077 179.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.37 -45.83 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.007 -0.738 . . . . 2.16 109.007 178.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 tp -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 3.14 109.236 178.188 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 32.3 tp -60.1 -48.31 82.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.32 -0.855 . . . . 3.33 110.124 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.11 -41.93 76.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 2.72 112.415 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 13.7 ptmm? -71.94 -37.52 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.362 -0.535 . . . . 4.13 111.507 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.82 -36.69 56.72 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.198 -0.201 . . . . 3.98 111.496 -179.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 28.7 mt -42.25 -50.53 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.698 0.285 . . . . 4.58 111.565 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -65.58 -42.08 92.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 7.03 110.401 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -51.99 -31.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 3.76 110.364 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.1 mmt -49.28 -21.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.688 -0.687 . . . . 4.7 111.379 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.97 36.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.833 0.349 . . . . 7.81 111.769 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.96 -33.2 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 5.36 110.074 178.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 55.46 17.85 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.826 -0.624 . . . . 7.32 109.854 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.215 -0.902 . . . . 6.95 109.95 179.331 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.18 0.514 . . . . 3.64 111.114 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 72.93 -52.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.431 -0.804 . . . . 2.23 111.543 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -50.25 -43.37 53.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.251 0.548 . . . . 2.85 109.568 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -48.97 -40.21 29.55 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.733 -0.667 . . . . 4.41 109.881 179.168 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -59.85 -40.19 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.674 -0.693 . . . . 2.16 109.56 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.95 -42.3 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 3.14 109.806 178.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.69 -54.35 48.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 3.33 110.702 179.226 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -64.89 -41.92 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 2.72 110.602 -179.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 16.4 tppt? -64.63 -37.66 88.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.49 . . . . 4.13 110.412 179.616 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.725 . . . . 3.98 110.246 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -38.29 -55.61 1.32 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 4.58 110.831 -179.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 21' ' ' LEU . 37.5 ptt180 -54.86 -42.42 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 7.03 110.694 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.7 mt -56.29 -30.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 3.76 110.723 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.6 mtt -59.01 -36.92 75.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 4.7 111.556 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -170.54 49.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.727 0.298 . . . . 7.81 110.673 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -43.3 -40.03 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 5.36 111.141 -179.203 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.2 tp -169.08 113.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.146 -0.479 . . . . 7.32 110.38 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.616 -0.72 . . . . 6.95 109.513 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.7 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.766 0.794 . . . . 3.64 110.174 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.87 -50.69 0.31 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.884 -1.053 . . . . 2.23 108.661 179.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -58.32 -47.77 82.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.367 -0.975 . . . . 2.85 108.367 177.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.33 -45.87 92.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.119 -0.946 . . . . 4.41 109.975 178.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.44 -39.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.699 -0.682 . . . . 2.16 109.989 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.84 -41.93 42.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.701 -0.681 . . . . 3.14 109.88 178.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.025 -0.989 . . . . 3.33 112.232 -179.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 14' ' ' LYS . 3.9 pp -58.91 -40.02 83.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.23 0.456 . . . . 2.72 112.23 -178.359 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 62.7 pttt -82.99 35.62 0.48 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.686 -0.406 . . . . 4.13 112.002 -179.383 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 19.6 pt20 -167.74 -54.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.411 -0.359 . . . . 3.98 110.648 178.765 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 60.9 tp -48.25 -51.93 23.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 4.58 110.053 179.661 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -49.54 -39.23 33.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 7.03 109.863 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -72.74 -47.67 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.52 -0.764 . . . . 3.76 110.877 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 8.1 ptm -55.32 -27.8 49.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.205 -0.452 . . . . 4.7 110.172 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -48.35 -42.36 31.24 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.44 -0.948 . . . . 7.81 108.44 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -89.59 -54.7 3.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.202 -0.908 . . . . 5.36 109.023 178.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.07 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.397 -0.82 . . . . 7.32 110.199 178.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 6.95 110.553 -179.529 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.886 0.374 . . . . 3.64 110.731 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -169.47 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 2.23 111.179 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 9' ' ' LYS . 50.4 p-10 -51.98 -41.34 62.08 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.733 0.302 . . . . 2.85 110.626 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 4.0 tppp? -65.72 -46.67 78.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.227 0.536 . . . . 4.41 109.689 179.372 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.39 -41.01 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 2.16 109.881 179.185 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.1 tp -62.2 -58.19 8.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.546 -0.752 . . . . 3.14 110.475 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 13' ' ' LEU . 4.5 pp -57.31 -38.13 73.55 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.787 -0.449 . . . . 3.33 109.787 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 12' ' ' LEU . 41.7 mt -61.68 -35.08 76.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.105 0.479 . . . . 2.72 110.245 178.28 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 17' ' ' ARG . 57.1 tttm -73.5 -54.4 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 4.13 110.623 179.84 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 3.6 pt20 -72.54 -9.51 58.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.596 . . . . 3.98 110.722 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.1 tp -42.85 -49.89 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 4.58 110.649 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 14' ' ' LYS . 5.5 ptp85 -51.85 -40.01 59.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.658 -0.497 . . . . 7.03 109.658 179.063 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLN . 57.5 mt -68.38 -43.2 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 3.76 109.456 178.391 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -55.55 -34.43 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.448 0.642 . . . . 4.7 109.504 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.6 mmp_? -106.56 32.48 4.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.392 -0.822 . . . . 7.81 110.266 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.509 HD12 ' H ' ' A' ' 23' ' ' THR . 3.6 pp -55.1 -39.32 69.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 5.36 109.863 179.175 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 21' ' ' LEU . 50.6 mt -166.9 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.053 -0.976 . . . . 7.32 109.082 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.509 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 114.884 -1.053 . . . . 6.95 109.982 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.225 -0.217 0 CA-C-O 121.882 0.848 . . . . 3.64 109.965 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.19 -45.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 107.128 -1.434 . . . . 2.23 107.128 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' VAL . 64.1 t0 -71.58 -56.1 6.51 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 107.367 -1.346 . . . . 2.85 107.367 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -79.81 41.53 0.5 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.065 -0.97 . . . . 4.41 108.977 177.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' ASP . 93.2 t -150.03 -51.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.288 -0.869 . . . . 2.16 109.509 -179.478 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 11' ' ' LEU . 5.3 tt -54.76 -43.99 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.665 -0.698 . . . . 3.14 109.235 178.752 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 3.6 pp -64.59 -29.42 70.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 3.33 111.478 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.11 -44.06 91.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.241 0.544 . . . . 2.72 109.911 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 16' ' ' LEU . 33.8 mmtp -89.31 -52.5 5.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 4.13 110.439 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 25.9 mm-40 61.95 -7.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.679 -0.691 . . . . 3.98 112.027 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 14' ' ' LYS . 3.1 tm? -46.07 -44.1 15.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.409 . . . . 4.58 110.776 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -52.42 -35.7 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 7.03 110.816 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 20' ' ' ARG . 54.8 mt -92.88 -32.93 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.763 -0.653 . . . . 3.76 110.935 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 tpt -70.9 34.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 4.7 111.237 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' A' ' 18' ' ' ILE . 38.3 ptt180 -139.65 -24.55 0.85 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 7.81 110.478 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.98 -30.43 71.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 5.36 110.404 178.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 1.4 pt? -147.75 47.04 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.621 . . . . 7.32 110.558 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.442 ' HG1' ' C ' ' A' ' 22' ' ' LEU . 94.8 m . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.548 -0.751 . . . . 6.95 110.379 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.215 0.531 . . . . 3.64 112.09 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.2 -60.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.319 -0.623 . . . . 2.23 109.319 179.155 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.36 -51.62 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.363 0.601 . . . . 2.85 109.756 178.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -58.17 -31.3 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.506 -0.77 . . . . 4.41 111.108 179.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -57.16 -43.61 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.461 . . . . 2.16 109.997 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -63.02 -38.73 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.484 0.659 . . . . 3.14 109.787 179.03 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 74.6 mt -60.42 -19.32 55.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 3.33 110.916 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.73 -25.02 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 2.72 111.909 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' LEU . 2.4 tpmt? -165.81 -34.61 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.746 0.647 . . . . 4.13 112.746 -178.87 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -40.12 -26.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.156 0.428 . . . . 3.98 112.156 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 12' ' ' LEU . 3.7 mm? -47.18 -42.86 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.094 0.473 . . . . 4.58 110.437 179.518 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -64.56 -40.87 96.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.661 -0.496 . . . . 7.03 109.661 179.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -57.47 -52.35 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 3.76 110.784 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 19.1 ptp -56.83 -41.06 77.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.421 . . . . 4.7 110.157 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 22' ' ' LEU . 44.8 mtp85 -60.81 -54.97 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 7.81 109.891 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 21' ' ' LEU . 6.5 mp -79.44 33.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.259 0.552 . . . . 5.36 110.088 178.362 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' ARG . 25.5 tp -166.84 48.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 7.32 109.979 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.664 -0.698 . . . . 6.95 109.513 179.06 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.225 0.536 . . . . 10.78 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.3 t -79.07 77.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.543 -0.753 . . . . 7.48 111.679 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.39 -69.74 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.327 0.584 . . . . 5.78 110.201 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.49 146.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.122 -0.945 . . . . 6.77 108.783 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 56.22 32.97 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.453 0.644 . . . . 5.57 109.358 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.2 54.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.975 -1.011 . . . . 3.64 111.841 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.97 -43.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 2.23 110.491 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -44.47 -46.89 9.9 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.146 -0.479 . . . . 2.85 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -49.7 -42.1 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.342 0.591 . . . . 4.41 110.132 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.8 -42.52 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.825 -0.625 . . . . 2.16 110.012 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.99 -50.49 73.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.771 -0.65 . . . . 3.14 110.827 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.6 pp -64.69 -37.1 86.44 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.784 -0.366 . . . . 3.33 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 12' ' ' LEU . 67.2 mt -66.85 -45.83 76.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 2.72 111.202 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -77.22 -53.47 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 4.13 111.004 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 16' ' ' LEU . 22.5 mt-30 -65.95 -20.27 66.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 3.98 111.226 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 15' ' ' GLN . 58.3 tp -11.74 -65.46 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.208 0.603 . . . . 4.58 112.533 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 56.4 mtp85 -57.99 -60.5 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.202 0.525 . . . . 7.03 110.176 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' GLN . 67.3 mt -47.95 -38.18 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 3.76 110.178 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.31 -56.61 13.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 4.7 111.661 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -60.49 -37.46 81.14 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.408 -0.517 . . . . 7.81 110.3 -179.381 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD11 ' CD ' ' A' ' 20' ' ' ARG . 7.1 mp -65.08 -48.86 72.25 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.915 -0.402 . . . . 5.36 109.915 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.7 tp -62.67 -62.66 1.58 Allowed 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.995 -0.548 . . . . 7.32 110.011 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 70.3 p -79.08 -128.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.53 -0.759 . . . . 6.95 109.175 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 3.6 mmp_? -158.2 -46.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.785 -0.45 . . . . 11.11 109.785 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.458 -0.782 . . . . 10.88 110.006 179.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.615 0.245 . . . . 10.78 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.07 122.27 22.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 7.48 110.207 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -174.08 38.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.199 0.523 . . . . 5.78 110.079 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 52.15 -162.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 6.77 109.685 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 7' ' ' ALA . 38.6 ttpt 54.75 13.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.074 0.464 . . . . 5.57 111.056 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -74.42 35.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.441 0.638 . . . . 3.64 110.997 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -172.6 -45.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.35 -0.841 . . . . 2.23 109.46 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.03 -50.86 34.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 2.85 110.226 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HZ3' ' CD2' ' A' ' 13' ' ' LEU . 6.2 tmtt? -64.63 -43.63 93.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.251 0.548 . . . . 4.41 109.562 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.4 -41.41 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 2.16 109.651 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.73 -46.56 81.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.881 -0.785 . . . . 3.14 108.881 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' LEU . 87.7 mt -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 3.33 109.293 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' CD2' ' HZ3' ' A' ' 9' ' ' LYS . 85.1 mt -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 2.72 110.332 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.19 -46.69 79.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.456 0.646 . . . . 4.13 109.564 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' ILE . 26.1 mt-30 -69.31 -21.6 63.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.027 -0.988 . . . . 3.98 110.638 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 6.3 tt -35.65 -54.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 4.58 111.989 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' HD2' ' A' ' 20' ' ' ARG . 37.9 ptt85 -58.77 -33.55 70.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.314 . . . . 7.03 111.58 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 59.8 mt -85.21 -54.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.27 0.47 . . . . 3.76 112.27 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 27.0 ptm -41.92 -34.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.05 0.759 . . . . 4.7 113.05 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -46.55 -35.44 5.79 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.264 -0.574 . . . . 7.81 110.382 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -56.64 -37.39 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 5.36 110.404 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -61.81 -40.95 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 7.32 109.716 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -78.71 42.73 0.46 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.258 0.552 . . . . 6.95 110.207 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 22' ' ' LEU . 16.4 tpp180 -158.78 41.68 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.618 -0.719 . . . . 11.11 110.214 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.48 -0.771 . . . . 10.88 110.443 -179.735 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.4 m170 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.574 0.225 . . . . 10.78 111.089 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.1 t -75.14 60.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 7.48 109.852 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 39.7 m-20 -44.39 -63.33 0.91 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.207 -0.451 . . . . 5.78 110.295 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' NZ ' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 168.9 -40.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.939 -0.573 . . . . 6.77 110.485 178.616 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' C ' ' H ' ' A' ' 7' ' ' ALA . 75.1 mmtt -75.74 23.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.4 . . . . 5.57 110.642 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.521 ' H ' ' C ' ' A' ' 4' ' ' LYS . 28.7 m -74.07 41.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.691 -0.686 . . . . 3.64 111.009 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . 176.57 -47.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 2.23 109.458 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.79 -45.17 14.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.711 -0.677 . . . . 2.85 110.345 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -48.82 -40.45 29.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 4.41 110.196 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.3 -45.71 34.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 2.16 109.486 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.31 -38.01 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.267 -0.879 . . . . 3.14 110.44 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 97.8 mt -45.12 -47.01 12.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 3.33 110.155 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -47.19 -42.24 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 2.72 110.278 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -76.75 -42.93 39.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 4.13 109.699 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -53.56 -29.0 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 3.98 109.753 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 93.7 mt -55.59 -41.74 73.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 4.58 109.872 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HG3' HH11 ' A' ' 17' ' ' ARG . 19.5 mmt85 -68.99 -47.71 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.776 -0.647 . . . . 7.03 110.069 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.458 ' C ' ' H ' ' A' ' 20' ' ' ARG . 51.4 mm -60.53 -40.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 3.76 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.13 42.8 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.938 -0.574 . . . . 4.7 111.172 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 18' ' ' ILE . 34.5 ttm-85 -175.96 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.985 -0.746 . . . . 7.81 108.985 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.15 43.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 5.36 110.083 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 24' ' ' ARG . 60.8 tp 178.95 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 7.32 110.618 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 p -69.9 29.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.529 0.566 . . . . 6.95 112.529 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' H ' ' C ' ' A' ' 22' ' ' LEU . 67.0 mtp180 52.87 14.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.029 0.381 . . . . 11.11 112.029 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.387 -0.816 . . . . 10.88 110.368 179.348 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.789 0.328 . . . . 10.78 111.093 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.31 50.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.415 0.626 . . . . 7.48 110.618 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 1.3 t70 -151.58 146.42 25.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.361 -0.836 . . . . 5.78 109.209 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 4.5 mptp? -64.2 -43.3 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.238 0.829 . . . . 6.77 113.238 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.547 ' C ' ' H ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.47 -44.06 88.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.743 -0.383 . . . . 5.57 111.062 -179.256 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 3' ' ' ASP . 13.1 p -72.26 33.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.441 0.638 . . . . 3.64 111.214 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -161.84 -54.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.05 -0.722 . . . . 2.23 109.05 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 33.3 t70 -50.79 -44.75 58.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.438 -0.801 . . . . 2.85 109.147 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -57.64 -37.77 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 4.41 109.412 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 7' ' ' ALA . 33.2 t -54.75 -37.61 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 109.163 -0.68 . . . . 2.16 109.163 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 2.8 tm? -63.79 -43.01 97.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.42 -0.956 . . . . 3.14 108.42 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 89.7 mt -61.53 -36.95 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.658 -0.701 . . . . 3.33 110.46 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.95 -38.73 70.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.253 0.549 . . . . 2.72 109.816 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -84.39 -56.22 3.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 4.13 111.057 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 43.9 mm-40 51.31 18.25 0.6 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.114 -0.494 . . . . 3.98 111.276 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.72 -47.65 80.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.16 -0.473 . . . . 4.58 109.8 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -54.66 -44.52 73.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.615 -0.513 . . . . 7.03 109.615 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 20' ' ' ARG . 41.4 mm -61.73 -48.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.018 -0.734 . . . . 3.76 109.018 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.3 mmt -76.3 40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 4.7 110.109 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -154.24 -52.36 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.259 -1.015 . . . . 7.81 108.259 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.63 -38.64 88.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 107.938 -1.134 . . . . 5.36 107.938 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -108.62 121.77 45.7 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.638 -1.165 . . . . 7.32 108.461 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 t 179.78 -43.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.045 0.45 . . . . 6.95 110.442 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -101.48 37.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 11.11 109.671 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.77 -1.11 . . . . 10.88 110.108 -179.79 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.429 ' C ' ' H ' ' A' ' 3' ' ' ASP . 86.6 m-70 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.069 0.461 . . . . 10.78 109.93 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.9 t -78.93 44.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 7.48 109.474 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 1' ' ' HIS . 1.4 m-20 -121.06 -70.95 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 5.78 109.184 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -65.52 -42.29 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.583 0.706 . . . . 6.77 110.522 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HA ' ' HG3' ' A' ' 9' ' ' LYS . 63.9 tttp -59.26 -29.59 67.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.291 -0.868 . . . . 5.57 111.711 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.15 87.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 114.21 1.189 . . . . 3.64 114.21 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 70.81 -50.38 0.68 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.826 1.047 . . . . 2.23 113.826 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' ALA . 34.1 t70 -39.24 -38.0 0.47 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.577 -0.527 . . . . 2.85 109.577 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' HA ' ' A' ' 5' ' ' LYS . 44.0 mtpt -61.72 -53.32 57.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.735 -0.666 . . . . 4.41 110.783 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' ALA . 72.9 t -56.99 -47.25 83.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.483 0.659 . . . . 2.16 109.432 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 39.4 tp -60.37 -37.93 82.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.008 -0.997 . . . . 3.14 109.889 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.49 -62.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.064 0.459 . . . . 3.33 110.993 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -57.4 -41.55 80.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 2.72 111.512 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' N ' HD11 ' A' ' 13' ' ' LEU . 28.5 mtpp -72.68 -49.27 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.73 -0.388 . . . . 4.13 110.949 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.8 tt0 -50.85 -39.37 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.92 -0.4 . . . . 3.98 109.92 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.9 -39.31 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.354 -0.61 . . . . 4.58 109.354 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.08 -44.36 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.329 -0.851 . . . . 7.03 110.14 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.66 -50.32 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 3.76 110.161 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 20.5 mmt -56.57 -42.61 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.234 0.54 . . . . 4.7 109.682 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -99.09 32.61 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 7.81 110.309 178.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.68 -33.89 56.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.293 0.568 . . . . 5.36 110.224 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.2 mt -159.24 -57.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.032 -0.985 . . . . 7.32 108.799 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p 42.06 65.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 6.95 111.672 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -62.16 -41.78 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.5 -0.556 . . . . 11.11 109.5 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.988 -1.006 . . . . 10.88 111.012 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.3 m80 . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 110.457 -0.201 . . . . 10.78 110.457 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.9 p -178.75 -42.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 123.286 0.366 . . . . 7.48 110.607 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 3' ' ' ASP . 14.5 t0 -144.42 34.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.217 0.532 . . . . 5.78 111.397 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 6' ' ' VAL . 26.9 ttpp 57.77 147.31 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.36 0.6 . . . . 6.77 111.779 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 7' ' ' ALA . 86.1 tttt 63.44 -4.72 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.141 -0.481 . . . . 5.57 111.149 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 4' ' ' LYS . 13.0 p -73.68 45.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.507 0.67 . . . . 3.64 110.581 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -164.77 -47.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.305 -0.861 . . . . 2.23 108.94 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 22.7 t70 -55.43 -45.34 76.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.363 -0.835 . . . . 2.85 109.463 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.72 -36.54 57.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.74 . . . . 4.41 109.884 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 59.2 t -55.97 -44.31 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.603 -0.726 . . . . 2.16 111.777 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 3.9 pp -67.02 -38.29 85.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.936 0.347 . . . . 3.14 111.936 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' LEU . 3.8 pp -78.66 -41.17 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 3.33 111.739 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 3.4 pp -59.54 -31.31 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.99 -0.444 . . . . 2.72 110.962 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.9 14.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.948 -0.301 . . . . 4.13 111.559 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.49 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 26.4 pt20 -162.66 -59.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.097 -0.241 . . . . 3.98 111.31 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.2 tp -57.62 -47.37 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.498 . . . . 4.58 110.0 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -65.59 -47.84 74.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 7.03 109.857 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -51.66 -41.45 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 3.76 110.141 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.6 ttm -41.24 -32.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 4.7 111.213 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 38.4 ptt180 -45.72 -44.76 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.421 . . . . 7.81 111.261 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.6 pp -64.74 -32.86 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 5.36 110.946 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.8 tp -77.75 -51.41 10.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.164 -0.471 . . . . 7.32 110.992 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 15.0 t -63.16 -31.96 73.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 6.95 110.902 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' THR . 21.5 mmt85 75.42 -52.19 0.65 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.835 -0.621 . . . . 11.11 110.904 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.901 -0.571 . . . . 10.88 109.773 -179.792 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.452 0.168 . . . . 10.78 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 3' ' ' ASP . 7.3 p -49.61 -41.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.918 -0.401 . . . . 7.48 109.918 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.2 t70 172.09 -24.18 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.339 -0.846 . . . . 5.78 109.893 178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 64.7 tttm 74.72 145.63 0.08 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.654 -0.703 . . . . 6.77 110.367 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 58.5 pttt 64.27 -36.62 0.18 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.126 0.971 . . . . 5.57 112.047 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.468 ' H ' ' C ' ' A' ' 4' ' ' LYS . 91.2 t -76.35 43.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 122.252 1.025 . . . . 3.64 109.621 177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -167.68 -43.68 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.214 -1.357 . . . . 2.23 107.404 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.52 -50.93 32.59 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.942 -1.027 . . . . 2.85 109.509 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 4.3 tmmm? -55.62 -48.78 74.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.621 -0.718 . . . . 4.41 110.257 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' A' ' 12' ' ' LEU . 8.7 p -66.36 -48.32 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 2.16 110.601 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.06 39.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 3.14 111.803 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD13 ' C ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -161.34 -49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.615 . . . . 3.33 109.338 178.432 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' N ' HD13 ' A' ' 12' ' ' LEU . 87.5 mt -82.02 -55.03 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.214 -0.662 . . . . 2.72 109.214 178.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.19 -43.57 73.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.143 -0.688 . . . . 4.13 109.143 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.11 -54.33 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 3.98 110.808 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 95.5 mt -59.2 -43.28 92.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.207 0.527 . . . . 4.58 109.766 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -57.01 -43.93 82.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.754 -0.657 . . . . 7.03 109.606 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.12 -39.85 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 3.76 110.099 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.651 ' SD ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.46 -39.77 70.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 4.7 109.902 179.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.651 ' HG2' ' SD ' ' A' ' 19' ' ' MET . 9.9 mmp_? -132.05 55.68 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.531 0.681 . . . . 7.81 110.883 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 3.0 pp -74.78 45.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.156 -0.929 . . . . 5.36 110.763 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 20' ' ' ARG . 91.7 mt 53.01 28.54 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.449 0.642 . . . . 7.32 110.218 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 m 43.13 33.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.838 -1.073 . . . . 6.95 111.451 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG2' HH11 ' A' ' 24' ' ' ARG . 70.4 mtt-85 -65.29 -16.53 63.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 11.11 110.447 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.662 -0.699 . . . . 10.88 110.197 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 59.1 m170 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.837 -0.431 . . . . 10.78 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 6' ' ' VAL . 95.8 t -69.64 -67.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 7.48 110.664 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 46.94 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 5.78 111.393 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -171.24 60.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.63 0.728 . . . . 6.77 109.114 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.642 ' C ' ' H ' ' A' ' 7' ' ' ALA . 17.1 tppt? -161.77 -30.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.175 -0.92 . . . . 5.57 111.266 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 2' ' ' VAL . 9.9 p -65.06 18.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.142 0.496 . . . . 3.64 111.357 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.642 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -141.59 29.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.435 -0.95 . . . . 2.23 108.435 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -155.98 -53.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.763 -1.562 . . . . 2.85 108.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -65.16 -45.84 83.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 4.41 110.125 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -50.11 -49.58 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.331 -0.618 . . . . 2.16 109.331 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.68 -41.64 87.78 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.472 -0.786 . . . . 3.14 109.438 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -50.12 -48.59 53.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 3.33 109.935 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -40.68 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.538 . . . . 2.72 110.055 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.31 -42.42 99.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.414 0.626 . . . . 4.13 109.494 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ILE . 26.3 mt-30 -61.63 -33.12 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.232 -0.895 . . . . 3.98 110.605 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -40.05 -49.04 2.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.999 0.428 . . . . 4.58 110.057 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -49.93 -47.51 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.334 -0.617 . . . . 7.03 109.334 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLN . 54.2 mt -64.82 -42.35 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.478 -0.783 . . . . 3.76 110.177 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.558 ' HB3' ' NH2' ' A' ' 20' ' ' ARG . 7.3 mmt -54.78 -36.92 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 4.7 109.276 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.558 ' NH2' ' HB3' ' A' ' 19' ' ' MET . 14.8 mmp_? -94.85 31.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.562 -0.745 . . . . 7.81 109.87 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 22' ' ' LEU . 3.9 pp -52.75 -38.02 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 5.36 110.693 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.441 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 2.3 tm? -174.4 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.97 -0.559 . . . . 7.32 110.11 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 6.7 p -71.93 -83.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 6.95 110.381 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 23' ' ' THR . 38.8 ptt180 170.98 -40.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 11.11 110.859 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.65 -0.691 . . . . 10.88 110.141 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 2' ' ' VAL . 24.1 t-80 . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 110.499 -0.186 . . . . 10.78 110.499 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 4' ' ' LYS . 5.7 p -55.62 138.24 16.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.236 -0.283 . . . . 7.48 110.236 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -73.19 34.45 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 5.78 110.93 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 2' ' ' VAL . 23.4 tptm -54.21 104.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.913 0.387 . . . . 6.77 110.509 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 7' ' ' ALA . 67.6 mttm 60.51 8.24 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.667 . . . . 5.57 111.035 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 t -77.14 45.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.914 0.864 . . . . 3.64 109.861 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.455 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -170.35 -39.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.339 -1.3 . . . . 2.23 108.246 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -59.29 -53.26 60.29 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.285 -0.871 . . . . 2.85 109.472 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.07 -49.54 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.714 . . . . 4.41 110.027 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.472 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 t -52.3 -50.9 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.9 -0.591 . . . . 2.16 109.787 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -55.95 -51.85 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 3.14 110.767 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.2 mt -56.39 -43.36 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 3.33 110.379 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 15' ' ' GLN . 94.8 mt -62.82 -51.83 65.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.948 -0.569 . . . . 2.72 110.115 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 10.6 ptmm? -75.89 31.93 0.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.907 0.384 . . . . 4.13 110.907 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 13' ' ' LEU . 4.8 tp60 -140.93 -57.34 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.084 -0.709 . . . . 3.98 109.084 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.2 tt -53.24 -47.19 69.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.013 -0.736 . . . . 4.58 109.013 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -55.35 -37.75 67.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.645 -0.707 . . . . 7.03 109.876 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.21 -47.95 89.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 109.863 -0.421 . . . . 3.76 109.863 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.24 -39.88 84.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.484 0.659 . . . . 4.7 109.845 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -67.3 -49.43 64.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.063 -0.971 . . . . 7.81 112.334 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.14 -40.8 36.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.421 0.526 . . . . 5.36 112.421 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 2.0 tm? -48.58 -52.21 23.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.623 -0.262 . . . . 7.32 111.252 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.1 t -168.59 140.59 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 6.95 111.573 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.511 HH11 ' HA ' ' A' ' 24' ' ' ARG . 5.1 mmm180 -157.03 44.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.589 . . . . 11.11 109.922 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.785 -1.102 . . . . 10.88 110.451 -179.469 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.653 0.263 . . . . 10.78 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.9 m -46.07 124.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 7.48 111.525 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.51 -42.46 70.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 5.78 110.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -157.03 60.26 0.52 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.63 -0.714 . . . . 6.77 110.269 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HG2' ' HD3' ' A' ' 9' ' ' LYS . 54.4 mttp 68.69 166.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 5.57 110.655 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -154.87 42.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.562 0.696 . . . . 3.64 109.443 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 72.02 -60.89 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.972 -1.013 . . . . 2.23 110.527 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 55.8 m-20 -48.81 -46.21 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.365 0.603 . . . . 2.85 109.729 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HD3' ' HG2' ' A' ' 5' ' ' LYS . 76.2 tttt -52.05 -44.0 64.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 4.41 110.163 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.53 -42.01 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.424 -0.584 . . . . 2.16 109.424 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 45.9 tp -57.41 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.609 -0.723 . . . . 3.14 109.763 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.78 -41.64 97.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.502 . . . . 3.33 109.778 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.3 -38.97 88.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 2.72 111.679 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.68 7.17 4.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.676 -0.409 . . . . 4.13 111.652 -179.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 6.4 pt20 -162.19 43.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.243 0.544 . . . . 3.98 110.661 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.09 -52.82 53.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 4.58 110.166 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 53.3 ttm-85 -63.43 -43.28 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.781 -0.645 . . . . 7.03 109.536 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 15' ' ' GLN . 72.0 mt -58.8 -42.23 84.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 3.76 110.191 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.8 tpt -61.79 -55.29 31.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.978 -0.555 . . . . 4.7 111.11 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.611 ' C ' ' H ' ' A' ' 22' ' ' LEU . 17.0 ptp180 -56.08 -44.85 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.573 -0.899 . . . . 7.81 108.573 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.97 28.4 0.06 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.57 0.7 . . . . 5.36 109.627 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.611 ' H ' ' C ' ' A' ' 20' ' ' ARG . 29.0 tp -157.31 38.7 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.161 -1.051 . . . . 7.32 108.161 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 14.7 m -146.47 -54.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.605 -1.179 . . . . 6.95 110.089 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.544 ' HB3' ' O ' ' A' ' 23' ' ' THR . 0.0 OUTLIER 147.18 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.566 0.746 . . . . 11.11 110.192 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.09 -0.957 . . . . 10.88 110.887 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.515 -0.179 . . . . 10.78 110.515 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -52.13 134.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.391 . . . . 7.48 109.946 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -139.93 141.33 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.328 0.585 . . . . 5.78 111.307 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' A' ' 6' ' ' VAL . 17.5 ptpt -84.18 -29.5 26.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.443 -0.798 . . . . 6.77 111.002 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.77 31.64 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.04 -0.527 . . . . 5.57 112.106 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 4' ' ' LYS . 12.8 p -158.06 31.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.517 -0.919 . . . . 3.64 108.517 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.94 -53.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.509 -1.223 . . . . 2.23 109.959 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.6 p-10 -61.33 -43.92 98.06 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.61 -0.885 . . . . 2.85 108.61 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 6.4 mtpm? -52.01 -45.8 64.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 4.41 109.093 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -54.11 -44.21 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.563 -0.744 . . . . 2.16 109.248 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' GLN . 50.2 tp -58.11 -43.73 87.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.226 -0.657 . . . . 3.14 109.226 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -57.3 -37.85 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 3.33 110.476 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.1 mt -50.54 -37.9 41.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 2.72 111.116 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -138.52 32.74 2.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.084 0.468 . . . . 4.13 110.975 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.8 pt20 -60.28 -22.54 63.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 3.98 110.21 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 2.8 tm? -46.22 -60.47 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 4.58 111.128 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 44.2 ttt85 -81.07 -51.76 8.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 7.03 110.941 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 HD11 HG23 ' A' ' 18' ' ' ILE . 60.6 mt -47.83 -43.04 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.501 -0.318 . . . . 3.76 111.314 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.411 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 17.3 tpt -53.97 -37.27 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 4.7 110.897 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 20.4 ptp180 -97.36 35.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 7.81 110.57 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 17' ' ' ARG . 96.4 mt -135.4 23.28 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 5.36 110.796 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.61 -49.63 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.636 -0.711 . . . . 7.32 109.199 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -78.93 48.72 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.335 -0.848 . . . . 6.95 110.754 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -80.15 -42.49 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 11.11 110.853 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 5.2 mp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.793 -1.098 . . . . 10.88 110.144 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.9 m170 . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.481 -0.192 . . . . 10.78 110.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.3 t -46.58 -46.1 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.256 0.55 . . . . 7.48 109.956 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 t70 166.42 104.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.853 -1.067 . . . . 5.78 109.272 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -74.07 62.29 0.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.531 0.681 . . . . 6.77 109.903 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.525 ' HE2' ' N ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -160.68 -44.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.865 -1.061 . . . . 5.57 108.942 -179.2 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.525 ' N ' ' HE2' ' A' ' 5' ' ' LYS . 9.4 p -60.7 77.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.611 -0.722 . . . . 3.64 110.987 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . 168.13 -52.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.222 -0.899 . . . . 2.23 109.677 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -52.63 -40.61 62.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 2.85 110.576 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -52.9 -42.04 64.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 4.41 110.619 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -49.5 -50.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.387 0.613 . . . . 2.16 109.666 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.96 -38.44 82.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.865 . . . . 3.14 109.431 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.48 -36.43 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.446 -0.797 . . . . 3.33 109.9 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -58.84 -30.98 68.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 2.72 110.18 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -167.68 94.41 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.198 0.523 . . . . 4.13 111.554 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -168.35 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.863 -0.791 . . . . 3.98 108.863 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.65 -48.27 27.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.187 -0.671 . . . . 4.58 109.187 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -33.14 26.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.639 -0.71 . . . . 7.03 109.843 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -56.48 -43.0 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.606 -0.724 . . . . 3.76 109.171 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.91 47.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.424 -0.807 . . . . 4.7 109.926 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -165.77 -45.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.935 -0.575 . . . . 7.81 110.421 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 22' ' ' LEU . 3.2 pp 35.82 46.62 0.34 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.276 0.56 . . . . 5.36 110.089 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 21' ' ' LEU . 2.4 tm? -18.02 117.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 114.788 -1.096 . . . . 7.32 111.696 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 25' ' ' LEU . 10.4 t -164.61 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.825 -1.08 . . . . 6.95 109.658 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 23' ' ' THR . 21.0 tpp180 72.08 -38.08 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.982 -0.554 . . . . 11.11 111.613 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 23' ' ' THR . 32.1 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 119.069 -0.491 . . . . 10.88 110.211 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.425 ' HB3' HG11 ' A' ' 6' ' ' VAL . 64.6 t60 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.358 0.123 . . . . 10.78 111.318 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 m -155.35 -51.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.75 -0.204 . . . . 7.48 111.389 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 4' ' ' LYS . 10.7 t70 179.17 -126.38 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.625 -0.509 . . . . 5.78 109.625 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 22.4 tptm -87.03 173.55 9.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.987 0.515 . . . . 6.77 110.282 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 4' ' ' LYS . 6.0 mptp? 68.27 4.61 4.26 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.955 0.354 . . . . 5.57 111.955 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 91.5 t -74.62 54.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.378 0.608 . . . . 3.64 110.885 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 173.92 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.352 -0.981 . . . . 2.23 108.352 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 19.4 t70 -58.83 -50.04 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.936 -1.029 . . . . 2.85 109.779 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HG3' ' HB3' ' A' ' 5' ' ' LYS . 47.0 mtmt -60.87 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.423 0.63 . . . . 4.41 109.516 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.0 -34.18 48.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 2.16 110.331 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -46.03 -36.29 5.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.236 -0.438 . . . . 3.14 109.913 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.516 -0.55 . . . . 3.33 109.516 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.83 -44.24 97.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.572 -0.74 . . . . 2.72 109.507 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.79 -48.28 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.64 -0.709 . . . . 4.13 109.959 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.16 -47.01 82.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 3.98 109.591 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.4 tt -49.77 -49.25 49.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.253 0.549 . . . . 4.58 109.521 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -52.26 -32.91 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 7.03 109.9 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 18' ' ' ILE . 66.6 mt -85.22 -30.76 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.319 -0.855 . . . . 3.76 110.911 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 23' ' ' THR . 68.1 mtt -56.54 -51.67 67.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 4.7 111.577 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -41.81 -27.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.564 0.221 . . . . 7.81 111.528 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD11 ' H ' ' A' ' 21' ' ' LEU . 6.7 mp -70.81 69.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 5.36 111.784 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 19.0 tp 67.01 10.9 8.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.413 0.894 . . . . 7.32 113.413 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' MET . 13.5 m -81.07 55.3 2.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 6.95 110.136 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 22' ' ' LEU . 8.2 mpt_? -62.78 -22.4 66.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.659 -0.7 . . . . 11.11 111.247 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.882 -0.58 . . . . 10.88 110.261 -178.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.592 0.234 . . . . 10.78 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.26 67.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 7.48 111.346 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -60.27 -44.6 95.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 5.78 110.376 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 56.4 -89.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.8 -0.636 . . . . 6.77 109.74 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 7' ' ' ALA . 20.2 pttp -80.47 53.57 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 5.57 109.423 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.59 69.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 114.946 -1.025 . . . . 3.64 111.669 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . 172.95 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.479 -0.782 . . . . 2.23 109.429 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.69 -50.34 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 2.85 110.746 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -57.9 -44.08 86.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 4.41 110.988 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.47 -48.61 87.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.114 -0.699 . . . . 2.16 109.114 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 46.4 tp -52.94 -41.76 64.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.143 -0.935 . . . . 3.14 108.69 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.25 -48.11 83.15 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.012 -0.995 . . . . 3.33 109.952 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 82.1 mt -52.52 -56.28 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 2.72 111.388 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 11' ' ' LEU . 64.8 pttt -66.68 -44.12 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.83 -0.348 . . . . 4.13 110.79 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -50.35 -48.9 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 3.98 110.018 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 16' ' ' LEU . 9.2 mp -60.37 -43.27 96.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.87 -0.605 . . . . 4.58 109.89 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 99.8 mtt180 -56.13 -45.28 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.265 -0.643 . . . . 7.03 109.265 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -58.55 -40.62 79.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.477 -0.783 . . . . 3.76 110.445 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -53.06 -37.11 61.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.438 -0.578 . . . . 4.7 109.438 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' O ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.88 29.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.479 -0.782 . . . . 7.81 111.343 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -168.88 33.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.121 0.486 . . . . 5.36 111.085 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 tp 179.06 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.68 -0.691 . . . . 7.32 110.341 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -83.94 36.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 6.95 111.343 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' A' ' 24' ' ' ARG . 15.8 tpt85 -174.38 61.78 0.02 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.332 0.587 . . . . 11.11 110.846 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.051 -0.976 . . . . 10.88 110.228 179.807 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.065 0.46 . . . . 10.78 111.211 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 t -151.95 31.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.691 -0.686 . . . . 7.48 109.172 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 6' ' ' VAL . 40.0 m-20 -80.92 140.64 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.345 -0.843 . . . . 5.78 110.785 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -46.97 -45.73 21.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.398 0.618 . . . . 6.77 109.884 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -84.38 43.72 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.423 -0.808 . . . . 5.57 111.985 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 3' ' ' ASP . 6.5 p -124.95 111.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.079 0.466 . . . . 3.64 110.854 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 69.88 -57.89 0.54 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.914 -0.585 . . . . 2.23 111.313 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.649 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -44.05 -34.06 1.64 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.562 0.696 . . . . 2.85 111.069 179.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 18.5 ptpt -50.04 -40.99 46.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.31 -0.859 . . . . 4.41 111.477 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 83.8 t -66.93 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 113.21 0.818 . . . . 2.16 113.21 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.649 ' CD2' ' HA ' ' A' ' 8' ' ' ASP . 1.7 pt? -60.44 -36.82 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.825 -0.75 . . . . 3.14 111.069 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp -49.68 -39.78 37.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 3.33 111.233 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -49.18 -29.92 6.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 2.72 111.831 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -111.83 -36.04 5.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 4.13 110.724 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -45.6 -44.7 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.594 . . . . 3.98 111.185 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.16 -39.13 27.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.252 0.549 . . . . 4.58 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -76.04 -43.5 43.63 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 7.03 109.594 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.95 -31.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.677 -0.692 . . . . 3.76 109.923 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.426 ' HG2' HH21 ' A' ' 20' ' ' ARG . 23.5 ttt -53.74 -19.21 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 4.7 110.182 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.575 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 1.7 mmp_? -81.35 6.41 14.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 7.81 110.423 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.25 -30.23 69.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.521 -0.763 . . . . 5.36 109.567 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD13 ' H ' ' A' ' 24' ' ' ARG . 3.2 tm? -169.27 135.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.933 -1.031 . . . . 7.32 108.86 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -167.81 48.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.375 0.607 . . . . 6.95 110.551 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 2.9 mmp_? -95.71 122.84 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.73 -0.668 . . . . 11.11 109.545 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 10.88 109.817 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.948 0.404 . . . . 10.78 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -144.25 44.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.375 -0.972 . . . . 7.48 108.375 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -160.23 45.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.344 -1.298 . . . . 5.78 110.395 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -158.27 -54.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.027 -0.533 . . . . 6.77 110.199 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -82.09 -40.11 22.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.402 0.62 . . . . 5.57 109.689 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -47.33 116.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.132 -0.94 . . . . 3.64 111.84 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 75.02 -58.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.231 -0.895 . . . . 2.23 111.647 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 39.3 m-20 -49.22 -40.97 35.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.408 . . . . 2.85 110.435 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -54.24 -41.68 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.517 -0.549 . . . . 4.41 109.517 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.83 -44.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.643 -0.873 . . . . 2.16 108.643 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' A' ' 11' ' ' LEU . 1.7 tt -59.25 -39.51 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.389 -0.823 . . . . 3.14 109.199 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.42 -38.96 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.862 -0.608 . . . . 3.33 110.12 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.31 -50.83 68.59 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.692 -0.484 . . . . 2.72 109.692 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 28.2 ttpp -66.14 -41.72 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 4.13 109.237 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -56.42 -35.7 68.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.356 -0.838 . . . . 3.98 110.171 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 2.9 tm? -47.98 -43.14 29.31 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.154 -0.684 . . . . 4.58 109.154 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' LYS . 24.0 ttt180 -60.03 -47.2 86.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 7.03 109.522 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.61 -44.88 71.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 3.76 109.525 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.09 -43.78 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.531 -0.759 . . . . 4.7 110.26 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -57.84 -45.93 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 7.81 110.211 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.64 -42.09 64.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.88 -0.6 . . . . 5.36 110.323 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 tp -75.52 42.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 7.32 111.18 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 p -53.69 -48.78 69.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 6.95 110.268 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 173.04 -37.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.155 -0.929 . . . . 11.11 109.894 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 2.0 tm? . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.433 -0.794 . . . . 10.88 109.345 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.447 ' CD2' HG22 ' A' ' 2' ' ' VAL . 7.5 p-80 . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 109.742 -0.466 . . . . 10.78 109.742 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.447 HG22 ' CD2' ' A' ' 1' ' ' HIS . 28.3 m 41.63 39.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.495 0.664 . . . . 7.48 110.209 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.37 145.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.017 -0.992 . . . . 5.78 111.324 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 mttt 64.25 -160.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 6.77 110.346 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -94.81 40.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.509 . . . . 5.57 109.699 179.063 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -50.65 112.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.692 -0.685 . . . . 3.64 110.551 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 75.5 -47.26 0.59 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.581 -0.736 . . . . 2.23 110.48 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -49.41 -39.97 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 2.85 110.241 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -52.64 -49.55 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 4.41 110.307 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.12 -45.71 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.771 . . . . 2.16 110.498 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -54.36 -48.74 71.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 3.14 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 12' ' ' LEU . 11.1 mp -66.41 -59.95 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 3.33 111.993 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -50.96 -43.09 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 2.72 110.748 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 27.7 ttpp -71.73 -42.45 67.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.333 0.587 . . . . 4.13 110.482 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -57.08 -43.27 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 3.98 110.706 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -44.67 -29.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 4.58 111.337 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -104.06 -51.81 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.691 0.282 . . . . 7.03 111.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.77 -30.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 3.76 110.978 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.9 ttt -43.57 -31.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 4.7 111.134 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 27.3 tpt180 -169.73 38.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 7.81 110.417 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 32.96 37.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.741 0.781 . . . . 5.36 110.88 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' ARG . 2.9 tm? 175.88 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.37 -1.344 . . . . 7.32 107.37 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 m 59.12 145.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.677 -1.147 . . . . 6.95 112.924 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -76.52 52.17 0.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.874 -0.787 . . . . 11.11 108.874 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.307 -0.854 . . . . 10.88 109.942 -178.667 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.92 0.391 . . . . 10.78 110.542 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.7 t -69.83 141.67 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 7.48 110.771 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -179.0 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.147 0.498 . . . . 5.78 110.61 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -157.81 -54.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.907 -0.588 . . . . 6.77 109.64 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -58.57 -57.07 14.6 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.738 -0.467 . . . . 5.57 109.738 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.66 56.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 3.64 110.701 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.74 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.447 -0.797 . . . . 2.23 108.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 11.6 t70 -70.53 -51.22 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.931 -1.031 . . . . 2.85 109.584 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.44 -39.5 85.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.938 -0.764 . . . . 4.41 108.938 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.32 -56.38 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 114.953 -1.021 . . . . 2.16 111.263 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 8' ' ' ASP . 3.2 pp -58.87 -34.8 72.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.664 -0.414 . . . . 3.14 109.949 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.404 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 4.7 tt -64.07 -59.49 4.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 3.33 111.102 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -63.43 -38.64 91.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.18 0.514 . . . . 2.72 110.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 48.5 tttp -61.98 -50.55 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.775 -0.648 . . . . 4.13 109.841 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -48.96 -45.29 41.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.252 -0.885 . . . . 3.98 110.508 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.67 -49.29 65.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.272 0.558 . . . . 4.58 109.564 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -65.44 -38.51 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.689 -0.687 . . . . 7.03 110.364 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.26 -46.9 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 3.76 110.037 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.1 tpt -69.26 -51.47 37.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 4.7 110.27 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -55.13 -35.77 65.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 7.81 110.278 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.27 31.32 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 5.36 110.291 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 tp -56.96 -48.21 78.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.338 0.59 . . . . 7.32 109.54 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.6 p -161.06 130.77 4.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.085 -0.961 . . . . 6.95 109.621 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -60.09 -34.95 74.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 11.11 109.889 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--O 1.254 1.312 0 CA-C-O 118.119 -0.943 . . . . 10.88 110.302 178.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.911 0.386 . . . . 10.78 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.46 56.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 7.48 110.903 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.57 -157.95 0.02 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.161 -0.472 . . . . 5.78 110.415 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 22.9 tptm 66.07 140.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.987 0.422 . . . . 6.77 110.584 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 22.3 pttp 48.31 23.91 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.174 0.512 . . . . 5.57 111.075 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' A' ' 6' ' ' VAL . 79.9 t -108.94 49.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.731 0.777 . . . . 3.64 109.425 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.84 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.863 -1.062 . . . . 2.23 109.39 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.67 -58.29 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.764 . . . . 2.85 110.39 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.6 -44.22 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 4.41 110.277 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.14 -54.43 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.968 -0.56 . . . . 2.16 110.088 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.09 -37.39 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 3.14 109.769 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -53.0 -46.19 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 3.33 109.851 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.25 -27.64 67.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 2.72 110.483 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -72.1 -49.88 32.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 4.13 110.298 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' LEU . 20.9 pt20 -73.63 -36.6 65.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.322 -0.853 . . . . 3.98 111.247 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' GLN . 64.9 tp -22.76 -61.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 4.58 112.681 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -56.19 -52.02 65.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 7.03 111.187 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLN . 52.0 mt -58.89 -41.44 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 3.76 109.984 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.537 ' SD ' ' C ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -52.78 -36.31 57.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.342 -0.614 . . . . 4.7 109.342 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -65.0 -44.53 88.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.965 -0.754 . . . . 7.81 108.965 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.45 -28.79 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 5.36 109.763 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.28 -10.29 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.275 -0.875 . . . . 7.32 111.176 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.6 p -66.3 -149.12 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.832 0.348 . . . . 6.95 110.263 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -105.59 -10.09 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.353 0.597 . . . . 11.11 109.852 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 C--O 1.248 0.995 0 CA-C-N 114.951 -1.022 . . . . 10.88 109.077 -179.341 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.688 0.28 . . . . 10.78 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -171.05 133.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 7.48 109.579 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.42 135.65 57.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.078 0.466 . . . . 5.78 111.112 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 62.8 pttt -148.37 -49.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.473 -0.785 . . . . 6.77 109.313 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.676 ' C ' ' H ' ' A' ' 7' ' ' ALA . 27.4 mmtm -63.43 -33.95 76.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.301 -0.629 . . . . 5.57 109.301 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.8 t -70.01 21.81 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.799 0.809 . . . . 3.64 109.633 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.676 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -146.37 -41.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.706 -1.134 . . . . 2.23 108.138 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.82 -44.05 66.4 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 109.168 -0.679 . . . . 2.85 109.168 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.7 -17.84 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.377 -0.829 . . . . 4.41 110.989 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.25 -51.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 2.16 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.19 -50.26 73.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 3.14 111.098 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -53.84 -24.44 15.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.343 0.497 . . . . 3.33 112.343 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -51.7 -20.2 1.97 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.871 0.367 . . . . 2.72 110.763 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -156.3 -44.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 4.13 110.601 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -73.0 54.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 3.98 111.225 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.9 tp -158.11 -72.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.976 -0.75 . . . . 4.58 108.976 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.53 -50.16 74.67 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.197 -0.668 . . . . 7.03 109.197 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.7 mt -49.09 -41.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.261 -0.644 . . . . 3.76 109.261 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -66.3 -43.43 86.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.379 -0.828 . . . . 4.7 109.784 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 22' ' ' LEU . 41.2 ttt85 -55.08 -42.81 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.462 -0.57 . . . . 7.81 109.462 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 21' ' ' LEU . 3.4 mm? -79.65 30.03 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 5.36 109.903 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 20' ' ' ARG . 28.3 tp 44.9 35.68 1.61 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.831 -0.622 . . . . 7.32 110.602 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.0 p 43.21 39.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 6.95 110.937 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -73.81 40.97 0.12 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.778 -0.646 . . . . 11.11 111.58 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 25' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.025 -0.988 . . . . 10.88 110.195 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.048 -0.353 . . . . 10.78 110.048 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.4 m -50.37 137.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 123.186 0.304 . . . . 7.48 111.213 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 4' ' ' LYS . 48.4 p-10 -163.63 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 5.78 111.324 -179.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 6' ' ' VAL . 7.1 ttpm? -131.89 149.52 52.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.66 -0.245 . . . . 6.77 110.557 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' ALA . 38.5 ttpt 69.96 -20.96 0.18 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 5.57 110.881 -179.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.579 ' H ' ' C ' ' A' ' 4' ' ' LYS . 8.5 p -71.41 40.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.513 0.673 . . . . 3.64 111.188 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -160.91 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.596 -0.729 . . . . 2.23 109.18 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.617 ' C ' ' H ' ' A' ' 10' ' ' VAL . 48.8 m-20 -55.71 -41.74 74.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.312 -0.625 . . . . 2.85 109.312 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -70.2 28.12 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.711 -0.677 . . . . 4.41 110.778 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 8' ' ' ASP . 54.1 t -150.0 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.758 -1.201 . . . . 2.16 107.758 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? -59.22 -48.09 82.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.77 -1.104 . . . . 3.14 109.038 177.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 14' ' ' LYS . 94.3 mt -55.1 -43.54 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.9 -0.778 . . . . 3.33 108.9 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.66 37.2 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.249 -0.887 . . . . 2.72 110.272 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 12' ' ' LEU . 22.7 tptm -160.04 -47.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.538 -0.756 . . . . 4.13 109.33 -179.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -55.87 -35.46 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 3.98 109.55 178.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.434 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 4.7 tt -51.56 -56.0 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 4.58 110.296 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 11.5 ptp180 -62.2 -31.06 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.176 0.512 . . . . 7.03 109.747 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 79.6 mt -72.93 -27.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 3.76 110.115 178.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.451 ' SD ' HD12 ' A' ' 22' ' ' LEU . 16.5 tpt -47.75 -47.19 30.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 4.7 111.586 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HD2' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.4 -25.47 35.86 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.476 -0.49 . . . . 7.81 111.105 -179.72 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 56.0 tp -68.14 -32.75 73.25 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.093 -0.706 . . . . 5.36 109.093 178.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 HD12 ' SD ' ' A' ' 19' ' ' MET . 59.4 mt -74.28 46.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.223 -0.899 . . . . 7.32 110.509 179.465 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p 52.22 81.2 0.08 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 6.95 111.261 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' NH1' ' HB3' ' A' ' 24' ' ' ARG . 8.2 ttp-105 -65.13 -32.17 73.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 11.11 109.927 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.971 -1.014 . . . . 10.88 111.168 -179.967 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.482 ' O ' ' ND1' ' A' ' 1' ' ' HIS . 16.7 p80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.486 0.184 . . . . 10.78 110.688 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.7 m -113.64 46.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.105 0.479 . . . . 7.48 111.139 -179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 21.2 t70 60.02 -136.11 0.73 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.685 -0.688 . . . . 5.78 110.631 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' H ' ' CG ' ' A' ' 3' ' ' ASP . 53.2 mtmt 52.1 -131.94 2.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.557 0.218 . . . . 6.77 110.471 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' A' ' 7' ' ' ALA . 34.4 mmtp -51.35 -38.43 53.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 5.57 110.525 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.37 43.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.458 0.647 . . . . 3.64 110.336 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -174.43 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.05 -0.977 . . . . 2.23 109.023 -179.656 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.61 -45.78 14.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.24 -0.891 . . . . 2.85 110.896 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -52.14 -49.92 62.77 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.555 -0.293 . . . . 4.41 110.949 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.38 -42.8 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 2.16 110.131 179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' CD2' ' C ' ' A' ' 11' ' ' LEU . 4.9 tt -63.67 -47.9 79.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.695 -0.684 . . . . 3.14 109.94 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.11 -47.79 84.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 3.33 111.107 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.93 -47.29 71.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.071 0.462 . . . . 2.72 110.544 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -67.78 -48.39 66.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 4.13 109.957 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -53.54 -41.44 66.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.425 -0.807 . . . . 3.98 110.453 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.0 -41.41 34.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 4.58 109.837 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -72.16 -42.23 66.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.864 -0.607 . . . . 7.03 109.954 179.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' C ' ' H ' ' A' ' 20' ' ' ARG . 38.5 mm -52.72 -52.55 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.145 -0.687 . . . . 3.76 109.145 179.302 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -76.52 40.85 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 4.7 110.016 178.07 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -144.86 -58.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 7.81 109.459 179.705 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 18' ' ' ILE . 2.6 pt? -68.88 -41.44 78.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.444 -0.947 . . . . 5.36 108.444 178.403 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.4 mt -87.34 43.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.591 -0.731 . . . . 7.32 109.159 178.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 m -154.36 135.91 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.587 -0.733 . . . . 6.95 110.873 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 168.51 -34.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 11.11 110.001 -179.707 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 2.3 tm? . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.841 -1.076 . . . . 10.88 109.308 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.485 0.183 . . . . 10.78 111.285 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.3 m -57.1 -38.63 61.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.409 . . . . 7.48 110.374 -179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.2 t70 70.96 -54.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.296 -0.865 . . . . 5.78 111.653 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' H ' ' HD2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -107.18 144.04 34.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 6.77 110.249 179.429 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' A' ' 7' ' ' ALA . 4.7 ttmp? 70.56 34.44 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.478 0.656 . . . . 5.57 109.532 -178.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.22 7.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.331 -0.85 . . . . 3.64 111.296 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -94.25 -60.1 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.124 -0.695 . . . . 2.23 109.124 178.651 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -69.45 -47.67 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 2.85 109.811 178.349 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -74.6 38.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 4.41 111.147 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.498 ' H ' ' C ' ' A' ' 8' ' ' ASP . 74.0 t -160.32 -52.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 2.16 109.047 179.105 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -51.32 -46.96 62.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.553 -0.749 . . . . 3.14 109.833 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.4 -41.57 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.797 -0.638 . . . . 3.33 110.695 179.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 mt -51.28 -42.3 61.02 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.077 -0.712 . . . . 2.72 109.077 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 16' ' ' LEU . 22.7 tptm -79.72 -62.06 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.493 -0.776 . . . . 4.13 109.09 178.142 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 67.98 -41.13 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.008 0.744 . . . . 3.98 113.008 178.247 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 4.9 tt -28.34 -62.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 4.58 112.539 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -49.13 -43.6 41.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 7.03 111.379 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.472 HG22 HD12 ' A' ' 18' ' ' ILE . 63.5 mt -70.02 -42.08 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 3.76 110.198 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.3 ttm -48.88 -36.41 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 4.7 109.92 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 16.5 mtm105 -57.04 -43.41 81.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.952 -0.567 . . . . 7.81 110.186 179.159 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.39 -40.18 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.555 -0.748 . . . . 5.36 109.802 179.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -174.65 127.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.315 -0.857 . . . . 7.32 110.186 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.4 p -71.0 -54.53 10.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.367 0.604 . . . . 6.95 110.078 179.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 48.9 ttm-85 50.6 37.14 15.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.378 -0.828 . . . . 11.11 109.948 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.155 -0.926 . . . . 10.88 110.436 179.666 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' A' ' 3' ' ' ASP . 30.4 t-80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 111.617 0.229 . . . . 10.78 111.617 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.5 41.69 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.989 0.423 . . . . 7.48 110.634 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 1' ' ' HIS . 1.4 m-20 -47.72 -41.95 24.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 5.78 111.557 -179.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -151.94 -39.55 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 6.77 111.677 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -174.8 129.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.03 0.443 . . . . 5.57 111.607 -178.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 p -124.36 42.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.729 0.776 . . . . 3.64 109.737 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -168.89 -39.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.991 -1.004 . . . . 2.23 109.728 -179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -51.06 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 2.85 110.267 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -74.52 48.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 4.41 111.693 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 11' ' ' LEU . 4.0 p -178.21 -35.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.142 -0.688 . . . . 2.16 109.142 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.507 ' N ' HG12 ' A' ' 10' ' ' VAL . 2.6 tm? -56.29 -46.44 79.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.892 -1.049 . . . . 3.14 110.128 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.35 -47.51 85.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 3.33 110.799 179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.26 -54.26 33.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.12 0.486 . . . . 2.72 109.778 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.42 -40.96 96.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 4.13 110.118 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -52.52 -33.78 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.4 -0.818 . . . . 3.98 110.451 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 4.8 tt -50.34 -49.13 54.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.99 0.424 . . . . 4.58 110.485 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -60.69 -51.73 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 7.03 110.514 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.7 mt -57.84 -36.15 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.868 -0.605 . . . . 3.76 109.838 179.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.2 ttp -66.3 -49.88 65.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 4.7 110.322 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 22' ' ' LEU . 49.4 ttp85 -57.92 -40.07 79.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.639 -0.874 . . . . 7.81 108.639 178.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.49 43.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.999 -1.0 . . . . 5.36 110.032 179.027 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 20' ' ' ARG . 56.5 tp -172.8 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 7.32 109.859 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 20.5 m 63.15 157.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 6.95 111.521 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 23' ' ' THR . 95.1 mtt180 74.62 55.35 0.08 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.046 -0.525 . . . . 11.11 110.799 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.972 -1.013 . . . . 10.88 110.042 179.65 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.4 m170 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.527 -0.175 . . . . 10.78 110.527 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m 45.22 38.66 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 O-C-N 123.746 0.654 . . . . 7.48 110.92 -179.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -170.69 148.91 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.45 -0.796 . . . . 5.78 108.877 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt 67.05 -173.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.125 -0.324 . . . . 6.77 110.125 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' ALA . 34.5 mtmm -74.11 42.95 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.64 -0.255 . . . . 5.57 111.388 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -73.04 36.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 3.64 111.297 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . 174.87 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 2.23 110.628 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -43.15 -45.97 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.85 110.986 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 88.4 tttt -58.83 -44.34 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.986 0.422 . . . . 4.41 110.077 179.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.37 -45.83 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.007 -0.738 . . . . 2.16 109.007 178.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 tp -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 3.14 109.236 178.188 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 32.3 tp -60.1 -48.31 82.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.32 -0.855 . . . . 3.33 110.124 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.11 -41.93 76.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 2.72 112.415 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 13.7 ptmm? -71.94 -37.52 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.362 -0.535 . . . . 4.13 111.507 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.82 -36.69 56.72 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.198 -0.201 . . . . 3.98 111.496 -179.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 28.7 mt -42.25 -50.53 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.698 0.285 . . . . 4.58 111.565 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -65.58 -42.08 92.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 7.03 110.401 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -51.99 -31.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 3.76 110.364 179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.1 mmt -49.28 -21.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.688 -0.687 . . . . 4.7 111.379 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.97 36.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.833 0.349 . . . . 7.81 111.769 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.96 -33.2 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 5.36 110.074 178.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 55.46 17.85 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.826 -0.624 . . . . 7.32 109.854 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.0 p -82.01 -121.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.215 -0.902 . . . . 6.95 109.95 179.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -169.48 36.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 11.11 111.198 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.255 -0.879 . . . . 10.88 111.128 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.568 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 30.4 t60 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 10.78 111.479 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.6 108.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.402 -0.592 . . . . 7.48 109.402 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 5' ' ' LYS . 48.1 m-20 -55.12 126.42 24.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.698 -0.482 . . . . 5.78 109.698 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -51.01 -42.94 60.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 6.77 110.964 -179.099 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 3' ' ' ASP . 58.6 pttt -53.13 -30.52 37.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 5.57 111.17 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.7 t -48.22 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 121.18 0.514 . . . . 3.64 111.114 -179.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 72.93 -52.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.431 -0.804 . . . . 2.23 111.543 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -50.25 -43.37 53.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.251 0.548 . . . . 2.85 109.568 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -48.97 -40.21 29.55 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.733 -0.667 . . . . 4.41 109.881 179.168 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -59.85 -40.19 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.674 -0.693 . . . . 2.16 109.56 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.95 -42.3 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 3.14 109.806 178.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.69 -54.35 48.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 3.33 110.702 179.226 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -64.89 -41.92 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 2.72 110.602 -179.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 16.4 tppt? -64.63 -37.66 88.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.49 . . . . 4.13 110.412 179.616 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.725 . . . . 3.98 110.246 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -38.29 -55.61 1.32 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 4.58 110.831 -179.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 21' ' ' LEU . 37.5 ptt180 -54.86 -42.42 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 7.03 110.694 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.7 mt -56.29 -30.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 3.76 110.723 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.6 mtt -59.01 -36.92 75.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 4.7 111.556 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -170.54 49.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.727 0.298 . . . . 7.81 110.673 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -43.3 -40.03 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 5.36 111.141 -179.203 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.2 tp -169.08 113.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.146 -0.479 . . . . 7.32 110.38 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 m -164.0 -45.62 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.616 -0.72 . . . . 6.95 109.513 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.443 HH11 ' HG3' ' A' ' 24' ' ' ARG . 30.2 ttt85 -72.54 136.28 45.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.797 -0.638 . . . . 11.11 110.485 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.704 -0.665 . . . . 10.88 109.814 179.681 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.5 m80 . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.28 0.562 . . . . 10.78 110.482 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' HA ' ' CG2' ' A' ' 6' ' ' VAL . 9.4 p 170.63 -35.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.798 -1.186 . . . . 7.48 107.798 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -58.43 -24.67 60.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 113.388 -1.733 . . . . 5.78 111.823 179.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -149.05 143.45 26.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.902 0.382 . . . . 6.77 111.406 -178.549 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 57.26 41.1 27.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.801 -0.636 . . . . 5.57 111.155 179.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.4 ' CG2' ' HA ' ' A' ' 2' ' ' VAL . 80.7 t -146.52 57.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.766 0.794 . . . . 3.64 110.174 179.242 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.87 -50.69 0.31 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.884 -1.053 . . . . 2.23 108.661 179.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -58.32 -47.77 82.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.367 -0.975 . . . . 2.85 108.367 177.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.33 -45.87 92.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.119 -0.946 . . . . 4.41 109.975 178.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.44 -39.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.699 -0.682 . . . . 2.16 109.989 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.84 -41.93 42.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.701 -0.681 . . . . 3.14 109.88 178.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.025 -0.989 . . . . 3.33 112.232 -179.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 14' ' ' LYS . 3.9 pp -58.91 -40.02 83.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.23 0.456 . . . . 2.72 112.23 -178.359 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 62.7 pttt -82.99 35.62 0.48 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.686 -0.406 . . . . 4.13 112.002 -179.383 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 19.6 pt20 -167.74 -54.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.411 -0.359 . . . . 3.98 110.648 178.765 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 60.9 tp -48.25 -51.93 23.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 4.58 110.053 179.661 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -49.54 -39.23 33.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 7.03 109.863 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -72.74 -47.67 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.52 -0.764 . . . . 3.76 110.877 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 8.1 ptm -55.32 -27.8 49.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.205 -0.452 . . . . 4.7 110.172 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -48.35 -42.36 31.24 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.44 -0.948 . . . . 7.81 108.44 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -89.59 -54.7 3.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.202 -0.908 . . . . 5.36 109.023 178.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.07 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.397 -0.82 . . . . 7.32 110.199 178.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -55.26 -31.72 61.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 6.95 110.553 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.0 mtt85 -155.23 -47.74 0.08 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.216 -0.902 . . . . 11.11 109.88 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 117.922 -1.037 . . . . 10.88 110.373 -179.812 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.6 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 2.7 p-80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.091 0.472 . . . . 10.78 110.814 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.33 -39.7 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 7.48 110.773 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 63.9 t0 -60.81 129.84 43.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.838 -0.619 . . . . 5.78 110.872 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' NZ ' ' HB2' ' A' ' 4' ' ' LYS . 9.7 mtmp? -58.78 -29.2 66.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 6.77 110.96 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 7' ' ' ALA . 59.7 mtpt -61.41 -23.17 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.85 -0.613 . . . . 5.57 110.936 -179.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 3' ' ' ASP . 5.4 m -72.96 35.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 3.64 110.731 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -169.47 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 2.23 111.179 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 9' ' ' LYS . 50.4 p-10 -51.98 -41.34 62.08 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.733 0.302 . . . . 2.85 110.626 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 4.0 tppp? -65.72 -46.67 78.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.227 0.536 . . . . 4.41 109.689 179.372 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.39 -41.01 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 2.16 109.881 179.185 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.1 tp -62.2 -58.19 8.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.546 -0.752 . . . . 3.14 110.475 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 13' ' ' LEU . 4.5 pp -57.31 -38.13 73.55 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.787 -0.449 . . . . 3.33 109.787 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 12' ' ' LEU . 41.7 mt -61.68 -35.08 76.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.105 0.479 . . . . 2.72 110.245 178.28 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 17' ' ' ARG . 57.1 tttm -73.5 -54.4 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 4.13 110.623 179.84 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 3.6 pt20 -72.54 -9.51 58.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.596 . . . . 3.98 110.722 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.1 tp -42.85 -49.89 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 4.58 110.649 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 14' ' ' LYS . 5.5 ptp85 -51.85 -40.01 59.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.658 -0.497 . . . . 7.03 109.658 179.063 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLN . 57.5 mt -68.38 -43.2 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 3.76 109.456 178.391 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -55.55 -34.43 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.448 0.642 . . . . 4.7 109.504 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.6 mmp_? -106.56 32.48 4.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.392 -0.822 . . . . 7.81 110.266 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.509 HD12 ' H ' ' A' ' 23' ' ' THR . 3.6 pp -55.1 -39.32 69.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 5.36 109.863 179.175 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 21' ' ' LEU . 50.6 mt -166.9 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.053 -0.976 . . . . 7.32 109.082 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.509 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -175.75 133.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.884 -1.053 . . . . 6.95 109.982 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 30.4 tpt85 -174.56 42.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.026 0.441 . . . . 11.11 110.824 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.963 -1.018 . . . . 10.88 109.914 179.219 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 84.2 t60 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.563 0.22 . . . . 10.78 110.953 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 36.0 m -70.53 119.77 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 7.48 111.944 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 p30 179.44 158.44 0.64 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.616 -0.72 . . . . 5.78 109.356 179.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' CG ' ' H ' ' A' ' 5' ' ' LYS . 65.8 tttt 57.49 -134.52 1.16 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.745 -0.465 . . . . 6.77 109.745 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.555 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -63.22 -42.22 99.24 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.582 -0.525 . . . . 5.57 109.582 179.11 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 2' ' ' VAL . 60.2 t -75.43 55.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 121.882 0.848 . . . . 3.64 109.965 178.812 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.19 -45.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 107.128 -1.434 . . . . 2.23 107.128 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' VAL . 64.1 t0 -71.58 -56.1 6.51 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 107.367 -1.346 . . . . 2.85 107.367 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -79.81 41.53 0.5 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.065 -0.97 . . . . 4.41 108.977 177.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' ASP . 93.2 t -150.03 -51.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.288 -0.869 . . . . 2.16 109.509 -179.478 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 11' ' ' LEU . 5.3 tt -54.76 -43.99 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.665 -0.698 . . . . 3.14 109.235 178.752 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 3.6 pp -64.59 -29.42 70.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 3.33 111.478 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.5 mt -59.11 -44.06 91.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.241 0.544 . . . . 2.72 109.911 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 16' ' ' LEU . 33.8 mmtp -89.31 -52.5 5.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 4.13 110.439 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 25.9 mm-40 61.95 -7.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.679 -0.691 . . . . 3.98 112.027 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 14' ' ' LYS . 3.1 tm? -46.07 -44.1 15.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.409 . . . . 4.58 110.776 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -52.42 -35.7 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 7.03 110.816 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 20' ' ' ARG . 54.8 mt -92.88 -32.93 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.763 -0.653 . . . . 3.76 110.935 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 tpt -70.9 34.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 4.7 111.237 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' A' ' 18' ' ' ILE . 38.3 ptt180 -139.65 -24.55 0.85 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 7.81 110.478 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.98 -30.43 71.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 5.36 110.404 178.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 1.4 pt? -147.75 47.04 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.621 . . . . 7.32 110.558 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.442 ' HG1' ' C ' ' A' ' 22' ' ' LEU . 94.8 m -162.91 98.17 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.548 -0.751 . . . . 6.95 110.379 179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -73.55 -43.75 59.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 11.11 109.939 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp . . . . . 0 C--O 1.255 1.37 0 CA-C-O 117.967 -1.016 . . . . 10.88 111.193 179.101 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 77.3 t60 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.05 -0.352 . . . . 10.78 110.05 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t 69.43 133.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 O-C-N 123.503 0.502 . . . . 7.48 110.738 -179.293 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -157.1 -55.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.029 -0.532 . . . . 5.78 110.333 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -156.41 136.13 12.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 6.77 110.272 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? 54.03 41.46 32.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.224 0.535 . . . . 5.57 109.796 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.86 52.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.267 -0.878 . . . . 3.64 112.09 -179.257 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.2 -60.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.319 -0.623 . . . . 2.23 109.319 179.155 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.36 -51.62 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.363 0.601 . . . . 2.85 109.756 178.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -58.17 -31.3 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.506 -0.77 . . . . 4.41 111.108 179.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -57.16 -43.61 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.461 . . . . 2.16 109.997 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -63.02 -38.73 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.484 0.659 . . . . 3.14 109.787 179.03 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 16' ' ' LEU . 74.6 mt -60.42 -19.32 55.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 3.33 110.916 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.73 -25.02 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 2.72 111.909 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' LEU . 2.4 tpmt? -165.81 -34.61 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.746 0.647 . . . . 4.13 112.746 -178.87 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -40.12 -26.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.156 0.428 . . . . 3.98 112.156 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 12' ' ' LEU . 3.7 mm? -47.18 -42.86 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.094 0.473 . . . . 4.58 110.437 179.518 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -64.56 -40.87 96.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.661 -0.496 . . . . 7.03 109.661 179.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -57.47 -52.35 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 3.76 110.784 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 19.1 ptp -56.83 -41.06 77.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.421 . . . . 4.7 110.157 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 22' ' ' LEU . 44.8 mtp85 -60.81 -54.97 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 7.81 109.891 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 21' ' ' LEU . 6.5 mp -79.44 33.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.259 0.552 . . . . 5.36 110.088 178.362 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' ARG . 25.5 tp -166.84 48.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 7.32 109.979 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 25' ' ' LEU . 2.2 p -60.18 -42.74 95.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.664 -0.698 . . . . 6.95 109.513 179.06 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 71.12 -39.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.177 -0.919 . . . . 11.11 111.018 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 23' ' ' THR . 95.6 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.746 -1.121 . . . . 10.88 110.593 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.141 0.496 . . . . 3.2599999999999998 111.841 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.97 -43.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 1.8400000000000001 110.491 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -44.47 -46.89 9.9 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.146 -0.479 . . . . 2.8500000000000001 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 87.8 tttt -49.7 -42.1 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.342 0.591 . . . . 4.0099999999999998 110.132 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.8 -42.52 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.012 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.99 -50.49 73.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.771 -0.65 . . . . 2.6899999999999999 110.827 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.6 pp -64.69 -37.1 86.44 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.784 -0.366 . . . . 2.77 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 12' ' ' LEU . 67.2 mt -66.85 -45.83 76.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 2.27 111.202 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -77.22 -53.47 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 3.8199999999999998 111.004 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 16' ' ' LEU . 81.2 mt-30 -65.95 -20.27 66.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 3.98 111.226 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 15' ' ' GLN . 58.3 tp -11.74 -65.46 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.208 0.603 . . . . 4.0999999999999996 112.533 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 56.4 mtp85 -57.99 -60.5 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.202 0.525 . . . . 6.3200000000000003 110.176 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' GLN . 67.3 mt -47.95 -38.18 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 3.3799999999999999 110.178 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.31 -56.61 13.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 4.3200000000000003 111.661 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' CD ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -60.49 -37.46 81.14 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.408 -0.517 . . . . 7.0700000000000003 110.3 -179.381 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD12 ' CD ' ' A' ' 20' ' ' ARG . 7.1 mp -65.08 -48.86 72.25 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.915 -0.402 . . . . 5.0199999999999996 109.915 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.7 tp -62.67 -62.66 1.58 Allowed 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.995 -0.548 . . . . 7.0 110.011 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.53 -0.759 . . . . 6.8799999999999999 109.175 178.615 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.7 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.441 0.638 . . . . 3.2599999999999998 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.6 -45.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.35 -0.841 . . . . 1.8400000000000001 109.46 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.03 -50.86 34.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 2.8500000000000001 110.226 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -64.63 -43.63 93.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.251 0.548 . . . . 4.0099999999999998 109.562 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.4 -41.41 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 1.71 109.651 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.73 -46.56 81.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.881 -0.785 . . . . 2.6899999999999999 108.881 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' LEU . 87.7 mt -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 2.77 109.293 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 2.27 110.332 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.19 -46.69 79.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.456 0.646 . . . . 3.8199999999999998 109.564 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' ILE . 90.0 mt-30 -69.31 -21.6 63.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.027 -0.988 . . . . 3.98 110.638 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 16' ' ' LEU . 6.3 tt -35.65 -54.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 4.0999999999999996 111.989 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' O ' ' HD2' ' A' ' 20' ' ' ARG . 37.9 ptt85 -58.77 -33.55 70.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.314 . . . . 6.3200000000000003 111.58 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 59.8 mt -85.21 -54.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.27 0.47 . . . . 3.3799999999999999 112.27 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.462 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 27.0 ptm -41.92 -34.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.05 0.759 . . . . 4.3200000000000003 113.05 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -46.55 -35.44 5.79 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.264 -0.574 . . . . 7.0700000000000003 110.382 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.7 pp -56.64 -37.39 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 5.0199999999999996 110.404 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.751 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.81 -40.95 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 7.0 109.716 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.258 0.552 . . . . 6.8799999999999999 110.207 178.882 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.404 0.621 . . . . 3.2599999999999998 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 176.57 -47.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 1.8400000000000001 109.458 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.79 -45.17 14.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.711 -0.677 . . . . 2.8500000000000001 110.345 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -48.82 -40.45 29.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 4.0099999999999998 110.196 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.3 -45.71 34.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 1.71 109.486 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.31 -38.01 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.267 -0.879 . . . . 2.6899999999999999 110.44 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 97.8 mt -45.12 -47.01 12.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 2.77 110.155 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -47.19 -42.24 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 2.27 110.278 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -76.75 -42.93 39.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 3.8199999999999998 109.699 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.56 -29.0 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 3.98 109.753 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 93.7 mt -55.59 -41.74 73.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 4.0999999999999996 109.872 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HG3' HH11 ' A' ' 17' ' ' ARG . 19.5 mmt85 -68.99 -47.71 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.776 -0.647 . . . . 6.3200000000000003 110.069 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' A' ' 20' ' ' ARG . 51.4 mm -60.53 -40.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 3.3799999999999999 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.13 42.8 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.938 -0.574 . . . . 4.3200000000000003 111.172 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG3' ' A' ' 20' ' ' ARG . 34.5 ttm-85 -175.96 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.985 -0.746 . . . . 7.0700000000000003 108.985 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.15 43.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 5.0199999999999996 110.083 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.8 tp 178.95 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 7.0 110.618 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 112.529 0.566 . . . . 6.8799999999999999 112.529 -179.456 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.1 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.441 0.638 . . . . 3.2599999999999998 111.214 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' ' HB ' ' A' ' 10' ' ' VAL . . . -161.84 -54.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.05 -0.722 . . . . 1.8400000000000001 109.05 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 33.3 t70 -50.79 -44.75 58.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.438 -0.801 . . . . 2.8500000000000001 109.147 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -57.64 -37.77 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 4.0099999999999998 109.412 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.61 HG12 ' NZ ' ' A' ' 14' ' ' LYS . 33.2 t -54.75 -37.61 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 109.163 -0.68 . . . . 1.71 109.163 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.645 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.8 tm? -63.79 -43.01 97.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.42 -0.956 . . . . 2.6899999999999999 108.42 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 89.7 mt -61.53 -36.95 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.658 -0.701 . . . . 2.77 110.46 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.95 -38.73 70.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.253 0.549 . . . . 2.27 109.816 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.61 ' NZ ' HG12 ' A' ' 10' ' ' VAL . 58.0 mttp -84.39 -56.22 3.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 3.8199999999999998 111.057 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 13.0 mm100 51.31 18.25 0.6 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.114 -0.494 . . . . 3.98 111.276 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.6 tt -63.72 -47.65 80.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.16 -0.473 . . . . 4.0999999999999996 109.8 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' NE ' HD21 ' A' ' 11' ' ' LEU . 14.4 ptp180 -54.66 -44.52 73.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.615 -0.513 . . . . 6.3200000000000003 109.615 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 20' ' ' ARG . 41.4 mm -61.73 -48.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.018 -0.734 . . . . 3.3799999999999999 109.018 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.3 mmt -76.3 40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 4.3200000000000003 110.109 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' C ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -154.24 -52.36 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.259 -1.015 . . . . 7.0700000000000003 108.259 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 17' ' ' ARG . 94.5 mt -61.63 -38.64 88.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 107.938 -1.134 . . . . 5.0199999999999996 107.938 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.633 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.9 tm? -108.62 121.77 45.7 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.638 -1.165 . . . . 7.0 108.461 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.045 0.45 . . . . 6.8799999999999999 110.442 -178.807 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 94.0 t . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 114.21 1.189 . . . . 3.2599999999999998 114.21 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 70.81 -50.38 0.68 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.826 1.047 . . . . 1.8400000000000001 113.826 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' ALA . 34.1 t70 -39.24 -38.0 0.47 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.577 -0.527 . . . . 2.8500000000000001 109.577 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.72 -53.32 57.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.735 -0.666 . . . . 4.0099999999999998 110.783 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' ALA . 72.9 t -56.99 -47.25 83.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.483 0.659 . . . . 1.71 109.432 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 39.4 tp -60.37 -37.93 82.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.008 -0.997 . . . . 2.6899999999999999 109.889 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.49 -62.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.064 0.459 . . . . 2.77 110.993 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -57.4 -41.55 80.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 2.27 111.512 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' HD12 ' A' ' 13' ' ' LEU . 28.5 mtpp -72.68 -49.27 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.73 -0.388 . . . . 3.8199999999999998 110.949 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 61.9 tt0 -50.85 -39.37 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.92 -0.4 . . . . 3.98 109.92 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.9 -39.31 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.354 -0.61 . . . . 4.0999999999999996 109.354 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.08 -44.36 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.329 -0.851 . . . . 6.3200000000000003 110.14 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.66 -50.32 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 3.3799999999999999 110.161 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 20.5 mmt -56.57 -42.61 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.234 0.54 . . . . 4.3200000000000003 109.682 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -99.09 32.61 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 7.0700000000000003 110.309 178.853 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.861 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.2 pp -53.68 -33.89 56.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.293 0.568 . . . . 5.0199999999999996 110.224 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.861 ' N ' HD12 ' A' ' 21' ' ' LEU . 74.2 mt -159.24 -57.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.032 -0.985 . . . . 7.0 108.799 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 6.8799999999999999 111.672 178.737 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.525 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.0 p . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.507 0.67 . . . . 3.2599999999999998 110.581 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.77 -47.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.305 -0.861 . . . . 1.8400000000000001 108.94 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 22.7 t70 -55.43 -45.34 76.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.363 -0.835 . . . . 2.8500000000000001 109.463 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HG2' HD23 ' A' ' 13' ' ' LEU . 87.2 tttt -76.72 -36.54 57.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.74 . . . . 4.0099999999999998 109.884 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.432 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 59.2 t -55.97 -44.31 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.603 -0.726 . . . . 1.71 111.777 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.9 pp -67.02 -38.29 85.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.936 0.347 . . . . 2.6899999999999999 111.936 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.972 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.8 pp -78.66 -41.17 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 2.77 111.739 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.972 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.4 pp -59.54 -31.31 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.99 -0.444 . . . . 2.27 110.962 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.822 ' N ' HD12 ' A' ' 13' ' ' LEU . 60.3 pttt -79.9 14.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.948 -0.301 . . . . 3.8199999999999998 111.559 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 26.4 pt20 -162.66 -59.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.097 -0.241 . . . . 3.98 111.31 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.2 tp -57.62 -47.37 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.498 . . . . 4.0999999999999996 110.0 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -65.59 -47.84 74.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 6.3200000000000003 109.857 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.4 mt -51.66 -41.45 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 3.3799999999999999 110.141 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.6 ttm -41.24 -32.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 4.3200000000000003 111.213 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HA ' HG22 ' A' ' 23' ' ' THR . 38.4 ptt180 -45.72 -44.76 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.421 . . . . 7.0700000000000003 111.261 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 21' ' ' LEU . 2.6 pp -64.74 -32.86 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 5.0199999999999996 110.946 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 58.8 tp -77.75 -51.41 10.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.164 -0.471 . . . . 7.0 110.992 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 20' ' ' ARG . 15.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 6.8799999999999999 110.902 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 6' ' ' VAL . 91.2 t . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 122.252 1.025 . . . . 3.2599999999999998 109.621 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.68 -43.68 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.214 -1.357 . . . . 1.8400000000000001 107.404 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.52 -50.93 32.59 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.942 -1.027 . . . . 2.8500000000000001 109.509 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 4.3 tmmm? -55.62 -48.78 74.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.621 -0.718 . . . . 4.0099999999999998 110.257 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.7 p -66.36 -48.32 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 1.71 110.601 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HG13 ' A' ' 10' ' ' VAL . 89.5 mt -75.06 39.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 2.6899999999999999 111.803 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -161.34 -49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.615 . . . . 2.77 109.338 178.432 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -82.02 -55.03 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.214 -0.662 . . . . 2.27 109.214 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.19 -43.57 73.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.143 -0.688 . . . . 3.8199999999999998 109.143 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.11 -54.33 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 3.98 110.808 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 95.5 mt -59.2 -43.28 92.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.207 0.527 . . . . 4.0999999999999996 109.766 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -57.01 -43.93 82.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.754 -0.657 . . . . 6.3200000000000003 109.606 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.12 -39.85 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 3.3799999999999999 110.099 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.672 ' SD ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.46 -39.77 70.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 4.3200000000000003 109.902 179.597 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HG2' ' SD ' ' A' ' 19' ' ' MET . 9.9 mmp_? -132.05 55.68 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.531 0.681 . . . . 7.0700000000000003 110.883 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.0 pp -74.78 45.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.156 -0.929 . . . . 5.0199999999999996 110.763 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt 53.01 28.54 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.449 0.642 . . . . 7.0 110.218 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 23' ' ' THR . 12.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 114.838 -1.073 . . . . 6.8799999999999999 111.451 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.9 p . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 121.142 0.496 . . . . 3.2599999999999998 111.357 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.59 29.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.435 -0.95 . . . . 1.8400000000000001 108.435 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -155.98 -53.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.763 -1.562 . . . . 2.8500000000000001 108.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -65.16 -45.84 83.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 4.0099999999999998 110.125 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -50.11 -49.58 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.331 -0.618 . . . . 1.71 109.331 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.68 -41.64 87.78 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.472 -0.786 . . . . 2.6899999999999999 109.438 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -50.12 -48.59 53.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 2.77 109.935 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -40.68 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.538 . . . . 2.27 110.055 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.31 -42.42 99.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.414 0.626 . . . . 3.8199999999999998 109.494 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ILE . 88.5 mt-30 -61.63 -33.12 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.232 -0.895 . . . . 3.98 110.605 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.4 tm? -40.05 -49.04 2.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.999 0.428 . . . . 4.0999999999999996 110.057 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 1.7 tmm_? -49.93 -47.51 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.334 -0.617 . . . . 6.3200000000000003 109.334 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLN . 54.2 mt -64.82 -42.35 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.478 -0.783 . . . . 3.3799999999999999 110.177 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.581 ' HB3' ' NH2' ' A' ' 20' ' ' ARG . 7.3 mmt -54.78 -36.92 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 4.3200000000000003 109.276 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.581 ' NH2' ' HB3' ' A' ' 19' ' ' MET . 14.8 mmp_? -94.85 31.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.562 -0.745 . . . . 7.0700000000000003 109.87 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.891 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.9 pp -52.75 -38.02 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 5.0199999999999996 110.693 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.891 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.3 tm? -174.4 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.97 -0.559 . . . . 7.0 110.11 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 6.8799999999999999 110.381 179.296 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 6' ' ' VAL . 28.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.914 0.864 . . . . 3.2599999999999998 109.861 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -170.35 -39.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.339 -1.3 . . . . 1.8400000000000001 108.246 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -59.29 -53.26 60.29 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.285 -0.871 . . . . 2.8500000000000001 109.472 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.07 -49.54 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.714 . . . . 4.0099999999999998 110.027 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 t -52.3 -50.9 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.9 -0.591 . . . . 1.71 109.787 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -55.95 -51.85 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 2.6899999999999999 110.767 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.2 mt -56.39 -43.36 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 2.77 110.379 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 15' ' ' GLN . 94.8 mt -62.82 -51.83 65.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.948 -0.569 . . . . 2.27 110.115 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 10.6 ptmm? -75.89 31.93 0.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.907 0.384 . . . . 3.8199999999999998 110.907 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 13' ' ' LEU . 4.8 tp60 -140.93 -57.34 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.084 -0.709 . . . . 3.98 109.084 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.2 tt -53.24 -47.19 69.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.013 -0.736 . . . . 4.0999999999999996 109.013 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -55.35 -37.75 67.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.645 -0.707 . . . . 6.3200000000000003 109.876 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.21 -47.95 89.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 109.863 -0.421 . . . . 3.3799999999999999 109.863 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.24 -39.88 84.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.484 0.659 . . . . 4.3200000000000003 109.845 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -67.3 -49.43 64.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.063 -0.971 . . . . 7.0700000000000003 112.334 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.14 -40.8 36.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.421 0.526 . . . . 5.0199999999999996 112.421 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 22' ' ' LEU . 2.0 tm? -48.58 -52.21 23.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.623 -0.262 . . . . 7.0 111.252 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 HD12 ' A' ' 22' ' ' LEU . 14.1 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 6.8799999999999999 111.573 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 6' ' ' VAL . 11.4 p . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 121.562 0.696 . . . . 3.2599999999999998 109.443 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 72.02 -60.89 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.972 -1.013 . . . . 1.8400000000000001 110.527 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 55.8 m-20 -48.81 -46.21 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.365 0.603 . . . . 2.8500000000000001 109.729 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 76.2 tttt -52.05 -44.0 64.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 4.0099999999999998 110.163 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.53 -42.01 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.424 -0.584 . . . . 1.71 109.424 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 45.9 tp -57.41 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.609 -0.723 . . . . 2.6899999999999999 109.763 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.78 -41.64 97.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.502 . . . . 2.77 109.778 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 95.0 mt -61.3 -38.97 88.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 2.27 111.679 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.68 7.17 4.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.676 -0.409 . . . . 3.8199999999999998 111.652 -179.743 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 6.4 pt20 -162.19 43.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.243 0.544 . . . . 3.98 110.661 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.09 -52.82 53.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 4.0999999999999996 110.166 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 53.3 ttm-85 -63.43 -43.28 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.781 -0.645 . . . . 6.3200000000000003 109.536 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 15' ' ' GLN . 72.0 mt -58.8 -42.23 84.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 3.3799999999999999 110.191 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.8 tpt -61.79 -55.29 31.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.978 -0.555 . . . . 4.3200000000000003 111.11 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.606 ' C ' ' H ' ' A' ' 22' ' ' LEU . 17.0 ptp180 -56.08 -44.85 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.573 -0.899 . . . . 7.0700000000000003 108.573 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.97 28.4 0.06 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.57 0.7 . . . . 5.0199999999999996 109.627 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 20' ' ' ARG . 29.0 tp -157.31 38.7 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.161 -1.051 . . . . 7.0 108.161 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 114.605 -1.179 . . . . 6.8799999999999999 110.089 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.478 ' O ' HG22 ' A' ' 6' ' ' VAL . 12.8 p . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 108.517 -0.919 . . . . 3.2599999999999998 108.517 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.94 -53.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.509 -1.223 . . . . 1.8400000000000001 109.959 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.6 p-10 -61.33 -43.92 98.06 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.61 -0.885 . . . . 2.8500000000000001 108.61 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 6.4 mtpm? -52.01 -45.8 64.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 4.0099999999999998 109.093 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -54.11 -44.21 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.563 -0.744 . . . . 1.71 109.248 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD1' HG21 ' A' ' 18' ' ' ILE . 50.2 tp -58.11 -43.73 87.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.226 -0.657 . . . . 2.6899999999999999 109.226 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -57.3 -37.85 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 2.77 110.476 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.1 mt -50.54 -37.9 41.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 2.27 111.116 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -138.52 32.74 2.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.084 0.468 . . . . 3.8199999999999998 110.975 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' LEU . 22.7 pt20 -60.28 -22.54 63.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 3.98 110.21 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.8 tm? -46.22 -60.47 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 4.0999999999999996 111.128 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.617 ' HG2' HD11 ' A' ' 21' ' ' LEU . 44.2 ttt85 -81.07 -51.76 8.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 6.3200000000000003 110.941 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.59 ' HA ' HD12 ' A' ' 21' ' ' LEU . 60.6 mt -47.83 -43.04 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.501 -0.318 . . . . 3.3799999999999999 111.314 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.53 ' O ' HD13 ' A' ' 22' ' ' LEU . 17.3 tpt -53.97 -37.27 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 4.3200000000000003 110.897 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 20.4 ptp180 -97.36 35.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 7.0700000000000003 110.57 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' A' ' 17' ' ' ARG . 96.4 mt -135.4 23.28 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 5.0199999999999996 110.796 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 19' ' ' MET . 6.4 mp -93.61 -49.63 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.636 -0.711 . . . . 7.0 109.199 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.335 -0.848 . . . . 6.8799999999999999 110.754 179.087 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 6' ' ' VAL . 9.4 p . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 121.495 0.664 . . . . 3.2599999999999998 110.987 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 168.13 -52.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.222 -0.899 . . . . 1.8400000000000001 109.677 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -52.63 -40.61 62.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 2.8500000000000001 110.576 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -52.9 -42.04 64.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 4.0099999999999998 110.619 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -49.5 -50.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.387 0.613 . . . . 1.71 109.666 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.96 -38.44 82.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.865 . . . . 2.6899999999999999 109.431 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.48 -36.43 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.446 -0.797 . . . . 2.77 109.9 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -58.84 -30.98 68.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 2.27 110.18 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG2' HD11 ' A' ' 18' ' ' ILE . 40.4 ttmt -167.68 94.41 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.198 0.523 . . . . 3.8199999999999998 111.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -168.35 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.863 -0.791 . . . . 3.98 108.863 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.4 mm? -74.65 -48.27 27.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.187 -0.671 . . . . 4.0999999999999996 109.187 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -33.14 26.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.639 -0.71 . . . . 6.3200000000000003 109.843 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' HG2' ' A' ' 14' ' ' LYS . 60.0 mt -56.48 -43.0 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.606 -0.724 . . . . 3.3799999999999999 109.171 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.91 47.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.424 -0.807 . . . . 4.3200000000000003 109.926 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -165.77 -45.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.935 -0.575 . . . . 7.0700000000000003 110.421 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.2 pp 35.82 46.62 0.34 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.276 0.56 . . . . 5.0199999999999996 110.089 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.4 tm? -18.02 117.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 114.788 -1.096 . . . . 7.0 111.696 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.516 ' N ' HD13 ' A' ' 22' ' ' LEU . 10.4 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 114.825 -1.08 . . . . 6.8799999999999999 109.658 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 6' ' ' VAL . 91.5 t . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.378 0.608 . . . . 3.2599999999999998 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 173.92 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.352 -0.981 . . . . 1.8400000000000001 108.352 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 19.4 t70 -58.83 -50.04 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.936 -1.029 . . . . 2.8500000000000001 109.779 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -60.87 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.423 0.63 . . . . 4.0099999999999998 109.516 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.0 -34.18 48.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 1.71 110.331 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 56.8 tp -46.03 -36.29 5.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.236 -0.438 . . . . 2.6899999999999999 109.913 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.516 -0.55 . . . . 2.77 109.516 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.83 -44.24 97.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.572 -0.74 . . . . 2.27 109.507 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 20.2 tptm -60.79 -48.28 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.64 -0.709 . . . . 3.8199999999999998 109.959 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.16 -47.01 82.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 3.98 109.591 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.4 tt -49.77 -49.25 49.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.253 0.549 . . . . 4.0999999999999996 109.521 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 55.7 ttm-85 -52.26 -32.91 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 6.3200000000000003 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 21' ' ' LEU . 66.6 mt -85.22 -30.76 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.319 -0.855 . . . . 3.3799999999999999 110.911 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 23' ' ' THR . 68.1 mtt -56.54 -51.67 67.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 4.3200000000000003 111.577 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 40.2 ptt180 -41.81 -27.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.564 0.221 . . . . 7.0700000000000003 111.528 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 18' ' ' ILE . 6.7 mp -70.81 69.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 5.0199999999999996 111.784 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp 67.01 10.9 8.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.413 0.894 . . . . 7.0 113.413 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' MET . 13.5 m . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 6.8799999999999999 110.136 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 6' ' ' VAL . 12.4 p . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 121.397 0.618 . . . . 3.2599999999999998 111.669 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 172.95 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.479 -0.782 . . . . 1.8400000000000001 109.429 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.69 -50.34 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 2.8500000000000001 110.746 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -57.9 -44.08 86.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 4.0099999999999998 110.988 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.47 -48.61 87.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.114 -0.699 . . . . 1.71 109.114 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 ' HE2' ' A' ' 14' ' ' LYS . 46.4 tp -52.94 -41.76 64.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.143 -0.935 . . . . 2.6899999999999999 108.69 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.0 tp -60.25 -48.11 83.15 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.012 -0.995 . . . . 2.77 109.952 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 82.1 mt -52.52 -56.28 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 2.27 111.388 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HE2' HD12 ' A' ' 11' ' ' LEU . 64.8 pttt -66.68 -44.12 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.83 -0.348 . . . . 3.8199999999999998 110.79 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -50.35 -48.9 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 3.98 110.018 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 12' ' ' LEU . 9.2 mp -60.37 -43.27 96.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.87 -0.605 . . . . 4.0999999999999996 109.89 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 99.8 mtt180 -56.13 -45.28 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.265 -0.643 . . . . 6.3200000000000003 109.265 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.453 ' HA ' HD11 ' A' ' 21' ' ' LEU . 87.1 mt -58.55 -40.62 79.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.477 -0.783 . . . . 3.3799999999999999 110.445 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -53.06 -37.11 61.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.438 -0.578 . . . . 4.3200000000000003 109.438 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.88 29.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.479 -0.782 . . . . 7.0700000000000003 111.343 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.8 pp -168.88 33.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.121 0.486 . . . . 5.0199999999999996 111.085 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 tp 179.06 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.68 -0.691 . . . . 7.0 110.341 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 23' ' ' THR . 7.2 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 6.8799999999999999 111.343 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 6' ' ' VAL . 6.5 p . . . . . 0 C--O 1.226 -0.171 0 CA-C-O 121.079 0.466 . . . . 3.2599999999999998 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 69.88 -57.89 0.54 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.914 -0.585 . . . . 1.8400000000000001 111.313 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.729 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -44.05 -34.06 1.64 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.562 0.696 . . . . 2.8500000000000001 111.069 179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 18.5 ptpt -50.04 -40.99 46.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.31 -0.859 . . . . 4.0099999999999998 111.477 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.494 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 83.8 t -66.93 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 113.21 0.818 . . . . 1.71 113.21 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 8' ' ' ASP . 1.7 pt? -60.44 -36.82 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.825 -0.75 . . . . 2.6899999999999999 111.069 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 8' ' ' ASP . 6.8 mp -49.68 -39.78 37.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 2.77 111.233 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -49.18 -29.92 6.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 2.27 111.831 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -111.83 -36.04 5.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 3.8199999999999998 110.724 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' OE1' HD12 ' A' ' 12' ' ' LEU . 63.2 tt0 -45.6 -44.7 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.594 . . . . 3.98 111.185 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.16 -39.13 27.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.252 0.549 . . . . 4.0999999999999996 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -76.04 -43.5 43.63 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 6.3200000000000003 109.594 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.639 HG22 HD23 ' A' ' 21' ' ' LEU . 57.5 mt -55.95 -31.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.677 -0.692 . . . . 3.3799999999999999 109.923 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.442 ' HG2' HH21 ' A' ' 20' ' ' ARG . 23.5 ttt -53.74 -19.21 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 4.3200000000000003 110.182 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.583 ' HE ' ' N ' ' A' ' 20' ' ' ARG . 1.7 mmp_? -81.35 6.41 14.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 7.0700000000000003 110.423 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.6 pp -60.25 -30.23 69.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.521 -0.763 . . . . 5.0199999999999996 109.567 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.871 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.2 tm? -169.27 135.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.933 -1.031 . . . . 7.0 108.86 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.662 ' N ' HD13 ' A' ' 22' ' ' LEU . 6.0 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.375 0.607 . . . . 6.8799999999999999 110.551 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 14.8 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 121.367 0.604 . . . . 3.2599999999999998 111.84 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 75.02 -58.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.231 -0.895 . . . . 1.8400000000000001 111.647 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 39.3 m-20 -49.22 -40.97 35.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.408 . . . . 2.8500000000000001 110.435 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -54.24 -41.68 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.517 -0.549 . . . . 4.0099999999999998 109.517 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.83 -44.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.643 -0.873 . . . . 1.71 108.643 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 11' ' ' LEU . 1.7 tt -59.25 -39.51 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.389 -0.823 . . . . 2.6899999999999999 109.199 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.42 -38.96 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.862 -0.608 . . . . 2.77 110.12 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.31 -50.83 68.59 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.692 -0.484 . . . . 2.27 109.692 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 28.2 ttpp -66.14 -41.72 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 3.8199999999999998 109.237 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -56.42 -35.7 68.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.356 -0.838 . . . . 3.98 110.171 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 16' ' ' LEU . 2.9 tm? -47.98 -43.14 29.31 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.154 -0.684 . . . . 4.0999999999999996 109.154 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' LYS . 24.0 ttt180 -60.03 -47.2 86.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 6.3200000000000003 109.522 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.61 -44.88 71.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 3.3799999999999999 109.525 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.09 -43.78 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.531 -0.759 . . . . 4.3200000000000003 110.26 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.726 ' O ' HG23 ' A' ' 23' ' ' THR . 64.9 ttp85 -57.84 -45.93 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 7.0700000000000003 110.211 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.64 -42.09 64.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.88 -0.6 . . . . 5.0199999999999996 110.323 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 tp -75.52 42.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 7.0 111.18 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 20' ' ' ARG . 19.9 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 6.8799999999999999 110.268 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 7.1 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.13 0.49 . . . . 3.2599999999999998 110.551 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 75.5 -47.26 0.59 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.581 -0.736 . . . . 1.8400000000000001 110.48 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' HD13 ' A' ' 12' ' ' LEU . 55.0 m-20 -49.41 -39.97 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 2.8500000000000001 110.241 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -52.64 -49.55 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 4.0099999999999998 110.307 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.12 -45.71 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.771 . . . . 1.71 110.498 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -54.36 -48.74 71.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 2.6899999999999999 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 8' ' ' ASP . 11.1 mp -66.41 -59.95 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 2.77 111.993 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.905 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -50.96 -43.09 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 2.27 110.748 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.905 ' N ' HD12 ' A' ' 13' ' ' LEU . 27.7 ttpp -71.73 -42.45 67.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.333 0.587 . . . . 3.8199999999999998 110.482 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -57.08 -43.27 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 3.98 110.706 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 91.5 mt -44.67 -29.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 4.0999999999999996 111.337 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -104.06 -51.81 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.691 0.282 . . . . 6.3200000000000003 111.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' A' ' 14' ' ' LYS . 31.9 mt -53.77 -30.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 3.3799999999999999 110.978 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.9 ttt -43.57 -31.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 4.3200000000000003 111.134 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 27.3 tpt180 -169.73 38.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 7.0700000000000003 110.417 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.647 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER 32.96 37.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.741 0.781 . . . . 5.0199999999999996 110.88 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.9 tm? 175.88 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.37 -1.344 . . . . 7.0 107.37 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.512 ' O ' HD13 ' A' ' 22' ' ' LEU . 13.2 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 114.677 -1.147 . . . . 6.8799999999999999 112.924 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 6' ' ' VAL . 61.4 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.444 0.64 . . . . 3.2599999999999998 110.701 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.74 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.447 -0.797 . . . . 1.8400000000000001 108.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 11.6 t70 -70.53 -51.22 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.931 -1.031 . . . . 2.8500000000000001 109.584 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.44 -39.5 85.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.938 -0.764 . . . . 4.0099999999999998 108.938 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.32 -56.38 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 114.953 -1.021 . . . . 1.71 111.263 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.779 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.2 pp -58.87 -34.8 72.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.664 -0.414 . . . . 2.6899999999999999 109.949 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.779 ' N ' HD12 ' A' ' 11' ' ' LEU . 4.7 tt -64.07 -59.49 4.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 2.77 111.102 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.894 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -63.43 -38.64 91.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.18 0.514 . . . . 2.27 110.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.894 ' N ' HD12 ' A' ' 13' ' ' LEU . 48.5 tttp -61.98 -50.55 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.775 -0.648 . . . . 3.8199999999999998 109.841 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HA ' HD12 ' A' ' 18' ' ' ILE . 65.5 tt0 -48.96 -45.29 41.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.252 -0.885 . . . . 3.98 110.508 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.67 -49.29 65.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.272 0.558 . . . . 4.0999999999999996 109.564 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG2' HD12 ' A' ' 21' ' ' LEU . 58.3 ttp180 -65.44 -38.51 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.689 -0.687 . . . . 6.3200000000000003 110.364 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 15' ' ' GLN . 85.1 mt -57.26 -46.9 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 3.3799999999999999 110.037 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.1 tpt -69.26 -51.47 37.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 4.3200000000000003 110.27 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -55.13 -35.77 65.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 7.0700000000000003 110.278 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 17' ' ' ARG . 88.7 mt -108.27 31.32 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 5.0199999999999996 110.291 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' THR . 61.4 tp -56.96 -48.21 78.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.338 0.59 . . . . 7.0 109.54 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' LEU . 45.6 p . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.085 -0.961 . . . . 6.8799999999999999 109.621 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.653 ' O ' HG12 ' A' ' 6' ' ' VAL . 79.9 t . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 121.731 0.777 . . . . 3.2599999999999998 109.425 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.84 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.863 -1.062 . . . . 1.8400000000000001 109.39 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.67 -58.29 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.764 . . . . 2.8500000000000001 110.39 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.6 -44.22 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 4.0099999999999998 110.277 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.14 -54.43 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.968 -0.56 . . . . 1.71 110.088 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.09 -37.39 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 2.6899999999999999 109.769 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -53.0 -46.19 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 2.77 109.851 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.25 -27.64 67.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 2.27 110.483 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -72.1 -49.88 32.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 3.8199999999999998 110.298 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' LEU . 14.8 pt20 -73.63 -36.6 65.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.322 -0.853 . . . . 3.98 111.247 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' GLN . 64.9 tp -22.76 -61.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 4.0999999999999996 112.681 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -56.19 -52.02 65.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 6.3200000000000003 111.187 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLN . 52.0 mt -58.89 -41.44 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 3.3799999999999999 109.984 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -52.78 -36.31 57.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.342 -0.614 . . . . 4.3200000000000003 109.342 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' THR . 41.0 ttp180 -65.0 -44.53 88.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.965 -0.754 . . . . 7.0700000000000003 108.965 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.45 -28.79 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 5.0199999999999996 109.763 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.28 -10.29 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.275 -0.875 . . . . 7.0 111.176 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 20' ' ' ARG . 69.6 p . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.832 0.348 . . . . 6.8799999999999999 110.263 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 6' ' ' VAL . 17.8 t . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.799 0.809 . . . . 3.2599999999999998 109.633 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.37 -41.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.706 -1.134 . . . . 1.8400000000000001 108.138 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.82 -44.05 66.4 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 109.168 -0.679 . . . . 2.8500000000000001 109.168 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.7 -17.84 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.377 -0.829 . . . . 4.0099999999999998 110.989 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.25 -51.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 1.71 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' CD ' ' A' ' 15' ' ' GLN . 4.2 mm? -57.19 -50.26 73.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 2.6899999999999999 111.098 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.792 ' HG ' HD22 ' A' ' 16' ' ' LEU . 7.2 mp -53.84 -24.44 15.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.343 0.497 . . . . 2.77 112.343 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -51.7 -20.2 1.97 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.871 0.367 . . . . 2.27 110.763 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB2' HD12 ' A' ' 18' ' ' ILE . 18.9 ptpt -156.3 -44.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 3.8199999999999998 110.601 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' CD ' HD12 ' A' ' 11' ' ' LEU . 36.8 tt0 -73.0 54.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 3.98 111.225 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.792 HD22 ' HG ' ' A' ' 12' ' ' LEU . 61.9 tp -158.11 -72.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.976 -0.75 . . . . 4.0999999999999996 108.976 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.53 -50.16 74.67 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.197 -0.668 . . . . 6.3200000000000003 109.197 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.851 HG22 HG22 ' A' ' 23' ' ' THR . 64.7 mt -49.09 -41.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.261 -0.644 . . . . 3.3799999999999999 109.261 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -66.3 -43.43 86.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.379 -0.828 . . . . 4.3200000000000003 109.784 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 22' ' ' LEU . 41.2 ttt85 -55.08 -42.81 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.462 -0.57 . . . . 7.0700000000000003 109.462 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.4 mm? -79.65 30.03 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 5.0199999999999996 109.903 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' ARG . 28.3 tp 44.9 35.68 1.61 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.831 -0.622 . . . . 7.0 110.602 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.851 HG22 HG22 ' A' ' 18' ' ' ILE . 21.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 6.8799999999999999 110.937 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.648 ' O ' HG22 ' A' ' 6' ' ' VAL . 8.5 p . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 121.513 0.673 . . . . 3.2599999999999998 111.188 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.91 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.596 -0.729 . . . . 1.8400000000000001 109.18 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 10' ' ' VAL . 48.8 m-20 -55.71 -41.74 74.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.312 -0.625 . . . . 2.8500000000000001 109.312 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -70.2 28.12 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.711 -0.677 . . . . 4.0099999999999998 110.778 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 8' ' ' ASP . 54.1 t -150.0 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.758 -1.201 . . . . 1.71 107.758 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.69 ' C ' HD13 ' A' ' 11' ' ' LEU . 1.7 tm? -59.22 -48.09 82.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.77 -1.104 . . . . 2.6899999999999999 109.038 177.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 14' ' ' LYS . 94.3 mt -55.1 -43.54 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.9 -0.778 . . . . 2.77 108.9 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.66 37.2 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.249 -0.887 . . . . 2.27 110.272 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 12' ' ' LEU . 22.7 tptm -160.04 -47.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.538 -0.756 . . . . 3.8199999999999998 109.33 -179.54 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' MET . 53.6 tt0 -55.87 -35.46 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 3.98 109.55 178.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.7 tt -51.56 -56.0 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 4.0999999999999996 110.296 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 11.5 ptp180 -62.2 -31.06 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.176 0.512 . . . . 6.3200000000000003 109.747 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 79.6 mt -72.93 -27.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 3.3799999999999999 110.115 178.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.466 ' SD ' HD12 ' A' ' 22' ' ' LEU . 16.5 tpt -47.75 -47.19 30.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 4.3200000000000003 111.586 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HD2' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.4 -25.47 35.86 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.476 -0.49 . . . . 7.0700000000000003 111.105 -179.72 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 56.0 tp -68.14 -32.75 73.25 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.093 -0.706 . . . . 5.0199999999999996 109.093 178.826 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' A' ' 19' ' ' MET . 59.4 mt -74.28 46.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.223 -0.899 . . . . 7.0 110.509 179.465 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 6.8799999999999999 111.261 -179.793 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.458 0.647 . . . . 3.2599999999999998 110.336 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.43 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.05 -0.977 . . . . 1.8400000000000001 109.023 -179.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.61 -45.78 14.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.24 -0.891 . . . . 2.8500000000000001 110.896 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -52.14 -49.92 62.77 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.555 -0.293 . . . . 4.0099999999999998 110.949 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.2 p -54.38 -42.8 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 1.71 110.131 179.623 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 11' ' ' LEU . 4.9 tt -63.67 -47.9 79.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.695 -0.684 . . . . 2.6899999999999999 109.94 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.11 -47.79 84.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 2.77 111.107 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.93 -47.29 71.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.071 0.462 . . . . 2.27 110.544 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -67.78 -48.39 66.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 3.8199999999999998 109.957 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -53.54 -41.44 66.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.425 -0.807 . . . . 3.98 110.453 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.0 -41.41 34.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 4.0999999999999996 109.837 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -72.16 -42.23 66.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.864 -0.607 . . . . 6.3200000000000003 109.954 179.002 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 38.5 mm -52.72 -52.55 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.145 -0.687 . . . . 3.3799999999999999 109.145 179.302 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -76.52 40.85 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 4.3200000000000003 110.016 178.07 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -144.86 -58.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 7.0700000000000003 109.459 179.705 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 18' ' ' ILE . 2.6 pt? -68.88 -41.44 78.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.444 -0.947 . . . . 5.0199999999999996 108.444 178.403 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 69.4 mt -87.34 43.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.591 -0.731 . . . . 7.0 109.159 178.011 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.587 -0.733 . . . . 6.8799999999999999 110.873 -178.879 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.46 0.028 0 CA-C-O 120.851 0.358 . . . . 3.2599999999999998 111.296 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.25 -60.1 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.124 -0.695 . . . . 1.8400000000000001 109.124 178.651 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -69.45 -47.67 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 2.8500000000000001 109.811 178.349 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.9 mtpp -74.6 38.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 4.0099999999999998 111.147 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 8' ' ' ASP . 74.0 t -160.32 -52.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 1.71 109.047 179.105 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -51.32 -46.96 62.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.553 -0.749 . . . . 2.6899999999999999 109.833 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.0 mp -72.4 -41.57 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.797 -0.638 . . . . 2.77 110.695 179.197 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 mt -51.28 -42.3 61.02 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.077 -0.712 . . . . 2.27 109.077 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 16' ' ' LEU . 22.7 tptm -79.72 -62.06 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.493 -0.776 . . . . 3.8199999999999998 109.09 178.142 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 67.98 -41.13 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.008 0.744 . . . . 3.98 113.008 178.247 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.9 tt -28.34 -62.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 4.0999999999999996 112.539 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -49.13 -43.6 41.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 6.3200000000000003 111.379 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 63.5 mt -70.02 -42.08 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 3.3799999999999999 110.198 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.572 ' CG ' HG22 ' A' ' 23' ' ' THR . 47.3 ttm -48.88 -36.41 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 4.3200000000000003 109.92 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 16.5 mtm105 -57.04 -43.41 81.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.952 -0.567 . . . . 7.0700000000000003 110.186 179.159 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 21' ' ' LEU . 6.4 mp -69.39 -40.18 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.555 -0.748 . . . . 5.0199999999999996 109.802 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -174.65 127.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.315 -0.857 . . . . 7.0 110.186 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.572 HG22 ' CG ' ' A' ' 19' ' ' MET . 64.4 p . . . . . 0 C--N 1.321 -0.644 0 CA-C-O 121.367 0.604 . . . . 6.8799999999999999 110.078 179.261 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.517 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.8 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.729 0.776 . . . . 3.2599999999999998 109.737 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.718 ' O ' HG12 ' A' ' 10' ' ' VAL . . . -168.89 -39.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.991 -1.004 . . . . 1.8400000000000001 109.728 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -51.06 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 2.8500000000000001 110.267 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -74.52 48.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 4.0099999999999998 111.693 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 7' ' ' ALA . 4.0 p -178.21 -35.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.142 -0.688 . . . . 1.71 109.142 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.618 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.6 tm? -56.29 -46.44 79.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.892 -1.049 . . . . 2.6899999999999999 110.128 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -61.35 -47.51 85.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 2.77 110.799 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.26 -54.26 33.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.12 0.486 . . . . 2.27 109.778 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.42 -40.96 96.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 3.8199999999999998 110.118 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -52.52 -33.78 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.4 -0.818 . . . . 3.98 110.451 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.8 tt -50.34 -49.13 54.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.99 0.424 . . . . 4.0999999999999996 110.485 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -60.69 -51.73 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 6.3200000000000003 110.514 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.7 mt -57.84 -36.15 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.868 -0.605 . . . . 3.3799999999999999 109.838 179.266 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.2 ttp -66.3 -49.88 65.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 4.3200000000000003 110.322 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -57.92 -40.07 79.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.639 -0.874 . . . . 7.0700000000000003 108.639 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.49 43.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.999 -1.0 . . . . 5.0199999999999996 110.032 179.027 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.5 tp -172.8 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 7.0 109.859 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 6.8799999999999999 111.521 179.392 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 6' ' ' VAL . 14.8 p . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.023 0.44 . . . . 3.2599999999999998 111.297 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 174.87 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.8400000000000001 110.628 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -43.15 -45.97 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.8500000000000001 110.986 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 88.4 tttt -58.83 -44.34 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.986 0.422 . . . . 4.0099999999999998 110.077 179.319 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.37 -45.83 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.007 -0.738 . . . . 1.71 109.007 178.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 tp -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 2.6899999999999999 109.236 178.188 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 32.3 tp -60.1 -48.31 82.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.32 -0.855 . . . . 2.77 110.124 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 16' ' ' LEU . 93.7 mt -56.11 -41.93 76.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 2.27 112.415 -179.497 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 13.7 ptmm? -71.94 -37.52 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.362 -0.535 . . . . 3.8199999999999998 111.507 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' ILE . 3.0 pt20 -76.82 -36.69 56.72 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.198 -0.201 . . . . 3.98 111.496 -179.424 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 28.7 mt -42.25 -50.53 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.698 0.285 . . . . 4.0999999999999996 111.565 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' HD11 ' A' ' 21' ' ' LEU . 14.0 ptm180 -65.58 -42.08 92.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 6.3200000000000003 110.401 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 15' ' ' GLN . 76.6 mt -51.99 -31.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 3.3799999999999999 110.364 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.1 mmt -49.28 -21.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.688 -0.687 . . . . 4.3200000000000003 111.379 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.97 36.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.833 0.349 . . . . 7.0700000000000003 111.769 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 21' ' ' LEU . 13.4 mt -81.96 -33.2 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 5.0199999999999996 110.074 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.4 mm? 55.46 17.85 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.826 -0.624 . . . . 7.0 109.854 -178.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.215 -0.902 . . . . 6.8799999999999999 109.95 179.331 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 90.7 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.18 0.514 . . . . 3.2599999999999998 111.114 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 72.93 -52.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.431 -0.804 . . . . 1.8400000000000001 111.543 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -50.25 -43.37 53.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.251 0.548 . . . . 2.8500000000000001 109.568 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -48.97 -40.21 29.55 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.733 -0.667 . . . . 4.0099999999999998 109.881 179.168 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -59.85 -40.19 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.674 -0.693 . . . . 1.71 109.56 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.95 -42.3 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 2.6899999999999999 109.806 178.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.69 -54.35 48.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 2.77 110.702 179.226 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.895 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -64.89 -41.92 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 2.27 110.602 -179.769 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.895 ' N ' HD12 ' A' ' 13' ' ' LEU . 16.4 tppt? -64.63 -37.66 88.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.49 . . . . 3.8199999999999998 110.412 179.616 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.725 . . . . 3.98 110.246 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.1 tt -38.29 -55.61 1.32 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 4.0999999999999996 110.831 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 21' ' ' LEU . 37.5 ptt180 -54.86 -42.42 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 6.3200000000000003 110.694 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.7 mt -56.29 -30.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 3.3799999999999999 110.723 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 56.6 mtt -59.01 -36.92 75.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 4.3200000000000003 111.556 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -170.54 49.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.727 0.298 . . . . 7.0700000000000003 110.673 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -43.3 -40.03 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 5.0199999999999996 111.141 -179.203 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.2 tp -169.08 113.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.146 -0.479 . . . . 7.0 110.38 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.616 -0.72 . . . . 6.8799999999999999 109.513 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 6' ' ' VAL . 80.7 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.766 0.794 . . . . 3.2599999999999998 110.174 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.87 -50.69 0.31 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.884 -1.053 . . . . 1.8400000000000001 108.661 179.237 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -58.32 -47.77 82.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.367 -0.975 . . . . 2.8500000000000001 108.367 177.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.33 -45.87 92.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.119 -0.946 . . . . 4.0099999999999998 109.975 178.511 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.44 -39.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.699 -0.682 . . . . 1.71 109.989 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.84 -41.93 42.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.701 -0.681 . . . . 2.6899999999999999 109.88 178.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.025 -0.989 . . . . 2.77 112.232 -179.173 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.974 HD12 ' N ' ' A' ' 14' ' ' LYS . 3.9 pp -58.91 -40.02 83.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.23 0.456 . . . . 2.27 112.23 -178.359 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.974 ' N ' HD12 ' A' ' 13' ' ' LEU . 62.7 pttt -82.99 35.62 0.48 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.686 -0.406 . . . . 3.8199999999999998 112.002 -179.383 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 19.6 pt20 -167.74 -54.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.411 -0.359 . . . . 3.98 110.648 178.765 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.74 HD12 ' SD ' ' A' ' 19' ' ' MET . 60.9 tp -48.25 -51.93 23.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 4.0999999999999996 110.053 179.661 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -49.54 -39.23 33.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 6.3200000000000003 109.863 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -72.74 -47.67 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.52 -0.764 . . . . 3.3799999999999999 110.877 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.74 ' SD ' HD12 ' A' ' 16' ' ' LEU . 8.1 ptm -55.32 -27.8 49.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.205 -0.452 . . . . 4.3200000000000003 110.172 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -48.35 -42.36 31.24 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.44 -0.948 . . . . 7.0700000000000003 108.44 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -89.59 -54.7 3.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.202 -0.908 . . . . 5.0199999999999996 109.023 178.129 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 22' ' ' LEU . 2.9 mm? -79.07 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.397 -0.82 . . . . 7.0 110.199 178.876 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 6.8799999999999999 110.553 -179.529 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 6' ' ' VAL . 5.4 m . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.886 0.374 . . . . 3.2599999999999998 110.731 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -169.47 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.8400000000000001 111.179 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 9' ' ' LYS . 50.4 p-10 -51.98 -41.34 62.08 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.733 0.302 . . . . 2.8500000000000001 110.626 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HD3' HD11 ' A' ' 12' ' ' LEU . 4.0 tppp? -65.72 -46.67 78.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.227 0.536 . . . . 4.0099999999999998 109.689 179.372 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.39 -41.01 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 1.71 109.881 179.185 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.1 tp -62.2 -58.19 8.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.546 -0.752 . . . . 2.6899999999999999 110.475 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.5 pp -57.31 -38.13 73.55 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.787 -0.449 . . . . 2.77 109.787 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.708 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.7 mt -61.68 -35.08 76.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.105 0.479 . . . . 2.27 110.245 178.28 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 17' ' ' ARG . 57.1 tttm -73.5 -54.4 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 3.8199999999999998 110.623 179.84 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 3.6 pt20 -72.54 -9.51 58.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.596 . . . . 3.98 110.722 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.1 tp -42.85 -49.89 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 4.0999999999999996 110.649 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 14' ' ' LYS . 5.5 ptp85 -51.85 -40.01 59.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.658 -0.497 . . . . 6.3200000000000003 109.658 179.063 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLN . 57.5 mt -68.38 -43.2 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 3.3799999999999999 109.456 178.391 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -55.55 -34.43 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.448 0.642 . . . . 4.3200000000000003 109.504 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.57 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.6 mmp_? -106.56 32.48 4.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.392 -0.822 . . . . 7.0700000000000003 110.266 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.937 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.6 pp -55.1 -39.32 69.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 5.0199999999999996 109.863 179.175 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.937 ' N ' HD12 ' A' ' 21' ' ' LEU . 50.6 mt -166.9 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.053 -0.976 . . . . 7.0 109.082 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 114.884 -1.053 . . . . 6.8799999999999999 109.982 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 6' ' ' VAL . 60.2 t . . . . . 0 C--O 1.225 -0.217 0 CA-C-O 121.882 0.848 . . . . 3.2599999999999998 109.965 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.19 -45.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 107.128 -1.434 . . . . 1.8400000000000001 107.128 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 10' ' ' VAL . 64.1 t0 -71.58 -56.1 6.51 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 107.367 -1.346 . . . . 2.8500000000000001 107.367 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CE ' HD21 ' A' ' 12' ' ' LEU . 2.4 tpmt? -79.81 41.53 0.5 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.065 -0.97 . . . . 4.0099999999999998 108.977 177.093 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' A' ' 8' ' ' ASP . 93.2 t -150.03 -51.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.288 -0.869 . . . . 1.71 109.509 -179.478 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.634 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.3 tt -54.76 -43.99 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.665 -0.698 . . . . 2.6899999999999999 109.235 178.752 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.6 pp -64.59 -29.42 70.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 2.77 111.478 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 12' ' ' LEU . 91.5 mt -59.11 -44.06 91.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.241 0.544 . . . . 2.27 109.911 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 16' ' ' LEU . 33.8 mmtp -89.31 -52.5 5.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 3.8199999999999998 110.439 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 9.7 mm100 61.95 -7.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.679 -0.691 . . . . 3.98 112.027 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 16' ' ' LEU . 3.1 tm? -46.07 -44.1 15.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.409 . . . . 4.0999999999999996 110.776 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -52.42 -35.7 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 6.3200000000000003 110.816 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.525 ' HA ' HD23 ' A' ' 21' ' ' LEU . 54.8 mt -92.88 -32.93 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.763 -0.653 . . . . 3.3799999999999999 110.935 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 tpt -70.9 34.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 4.3200000000000003 111.237 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' ILE . 38.3 ptt180 -139.65 -24.55 0.85 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 7.0700000000000003 110.478 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -63.98 -30.43 71.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 5.0199999999999996 110.404 178.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.623 ' N ' HD23 ' A' ' 22' ' ' LEU . 1.4 pt? -147.75 47.04 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.621 . . . . 7.0 110.558 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.548 -0.751 . . . . 6.8799999999999999 110.379 179.768 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 6' ' ' VAL . 11.7 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.215 0.531 . . . . 3.2599999999999998 112.09 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.2 -60.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.319 -0.623 . . . . 1.8400000000000001 109.319 179.155 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.36 -51.62 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.363 0.601 . . . . 2.8500000000000001 109.756 178.64 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -58.17 -31.3 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.506 -0.77 . . . . 4.0099999999999998 111.108 179.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -57.16 -43.61 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.461 . . . . 1.71 109.997 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.583 HD23 ' NE2' ' A' ' 15' ' ' GLN . 5.5 mp -63.02 -38.73 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.484 0.659 . . . . 2.6899999999999999 109.787 179.03 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.545 ' HA ' HD21 ' A' ' 16' ' ' LEU . 74.6 mt -60.42 -19.32 55.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 2.77 110.916 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.73 -25.02 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 2.27 111.909 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 2.4 tpmt? -165.81 -34.61 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.746 0.647 . . . . 3.8199999999999998 112.746 -178.87 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.583 ' NE2' HD23 ' A' ' 11' ' ' LEU . 37.9 tt0 -40.12 -26.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.156 0.428 . . . . 3.98 112.156 -178.546 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 12' ' ' LEU . 3.7 mm? -47.18 -42.86 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.094 0.473 . . . . 4.0999999999999996 110.437 179.518 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -64.56 -40.87 96.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.661 -0.496 . . . . 6.3200000000000003 109.661 179.368 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -57.47 -52.35 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 3.3799999999999999 110.784 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 19.1 ptp -56.83 -41.06 77.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.421 . . . . 4.3200000000000003 110.157 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 22' ' ' LEU . 44.8 mtp85 -60.81 -54.97 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 7.0700000000000003 109.891 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 21' ' ' LEU . 6.5 mp -79.44 33.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.259 0.552 . . . . 5.0199999999999996 110.088 178.362 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' ARG . 25.5 tp -166.84 48.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 7.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.664 -0.698 . . . . 6.8799999999999999 109.513 179.06 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.225 0.536 . . . . 10.210000000000001 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.846 HG13 HG21 ' A' ' 6' ' ' VAL . 85.3 t -79.07 77.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.543 -0.753 . . . . 7.1399999999999997 111.679 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.39 -69.74 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.327 0.584 . . . . 5.7800000000000002 110.201 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.49 146.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.122 -0.945 . . . . 6.3600000000000003 108.783 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 56.22 32.97 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.453 0.644 . . . . 5.2300000000000004 109.358 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.846 HG21 HG13 ' A' ' 2' ' ' VAL . 27.5 m -72.2 54.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.975 -1.011 . . . . 3.2599999999999998 111.841 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.97 -43.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 1.8400000000000001 110.491 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -44.47 -46.89 9.9 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.146 -0.479 . . . . 2.8500000000000001 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 87.8 tttt -49.7 -42.1 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.342 0.591 . . . . 4.0099999999999998 110.132 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.8 -42.52 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.012 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.99 -50.49 73.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.771 -0.65 . . . . 2.6899999999999999 110.827 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.6 pp -64.69 -37.1 86.44 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.784 -0.366 . . . . 2.77 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 12' ' ' LEU . 67.2 mt -66.85 -45.83 76.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 2.27 111.202 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -77.22 -53.47 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 3.8199999999999998 111.004 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 16' ' ' LEU . 81.2 mt-30 -65.95 -20.27 66.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 3.98 111.226 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 15' ' ' GLN . 58.3 tp -11.74 -65.46 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.208 0.603 . . . . 4.0999999999999996 112.533 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 56.4 mtp85 -57.99 -60.5 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.202 0.525 . . . . 6.3200000000000003 110.176 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' GLN . 67.3 mt -47.95 -38.18 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 3.3799999999999999 110.178 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.31 -56.61 13.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 4.3200000000000003 111.661 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' CD ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -60.49 -37.46 81.14 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.408 -0.517 . . . . 7.0700000000000003 110.3 -179.381 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD12 ' CD ' ' A' ' 20' ' ' ARG . 7.1 mp -65.08 -48.86 72.25 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.915 -0.402 . . . . 5.0199999999999996 109.915 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.7 tp -62.67 -62.66 1.58 Allowed 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.995 -0.548 . . . . 7.0 110.011 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.474 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 70.3 p -79.08 -128.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.53 -0.759 . . . . 6.8799999999999999 109.175 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HE ' ' HA ' ' A' ' 24' ' ' ARG . 3.6 mmp_? -158.2 -46.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.785 -0.45 . . . . 10.630000000000001 109.785 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.7 pt? . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.458 -0.782 . . . . 10.67 110.006 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.615 0.245 . . . . 10.210000000000001 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.07 122.27 22.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 7.1399999999999997 110.207 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -174.08 38.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.199 0.523 . . . . 5.7800000000000002 110.079 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 52.15 -162.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 6.3600000000000003 109.685 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 7' ' ' ALA . 38.6 ttpt 54.75 13.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.074 0.464 . . . . 5.2300000000000004 111.056 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.7 p -74.42 35.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.441 0.638 . . . . 3.2599999999999998 110.997 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -172.6 -45.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.35 -0.841 . . . . 1.8400000000000001 109.46 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.03 -50.86 34.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 2.8500000000000001 110.226 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HB2' ' HG2' ' A' ' 5' ' ' LYS . 6.2 tmtt? -64.63 -43.63 93.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.251 0.548 . . . . 4.0099999999999998 109.562 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.4 -41.41 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 1.71 109.651 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.73 -46.56 81.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.881 -0.785 . . . . 2.6899999999999999 108.881 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' LEU . 87.7 mt -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 2.77 109.293 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 2.27 110.332 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.19 -46.69 79.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.456 0.646 . . . . 3.8199999999999998 109.564 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' ILE . 90.0 mt-30 -69.31 -21.6 63.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.027 -0.988 . . . . 3.98 110.638 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 16' ' ' LEU . 6.3 tt -35.65 -54.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 4.0999999999999996 111.989 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' O ' ' HD2' ' A' ' 20' ' ' ARG . 37.9 ptt85 -58.77 -33.55 70.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.314 . . . . 6.3200000000000003 111.58 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 59.8 mt -85.21 -54.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.27 0.47 . . . . 3.3799999999999999 112.27 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.462 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 27.0 ptm -41.92 -34.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.05 0.759 . . . . 4.3200000000000003 113.05 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -46.55 -35.44 5.79 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.264 -0.574 . . . . 7.0700000000000003 110.382 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.7 pp -56.64 -37.39 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 5.0199999999999996 110.404 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.751 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.81 -40.95 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 7.0 109.716 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -78.71 42.73 0.46 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.258 0.552 . . . . 6.8799999999999999 110.207 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 16.4 tpp180 -158.78 41.68 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.618 -0.719 . . . . 10.630000000000001 110.214 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.48 -0.771 . . . . 10.67 110.443 -179.735 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.4 m170 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.574 0.225 . . . . 10.210000000000001 111.089 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.631 ' HA ' HG11 ' A' ' 6' ' ' VAL . 42.1 t -75.14 60.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 7.1399999999999997 109.852 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 39.7 m-20 -44.39 -63.33 0.91 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.207 -0.451 . . . . 5.7800000000000002 110.295 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 168.9 -40.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.939 -0.573 . . . . 6.3600000000000003 110.485 178.616 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 7' ' ' ALA . 75.1 mmtt -75.74 23.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.4 . . . . 5.2300000000000004 110.642 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.631 HG11 ' HA ' ' A' ' 2' ' ' VAL . 28.7 m -74.07 41.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.691 -0.686 . . . . 3.2599999999999998 111.009 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . 176.57 -47.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 1.8400000000000001 109.458 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.79 -45.17 14.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.711 -0.677 . . . . 2.8500000000000001 110.345 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -48.82 -40.45 29.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 4.0099999999999998 110.196 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.3 -45.71 34.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 1.71 109.486 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.31 -38.01 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.267 -0.879 . . . . 2.6899999999999999 110.44 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 97.8 mt -45.12 -47.01 12.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 2.77 110.155 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -47.19 -42.24 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 2.27 110.278 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -76.75 -42.93 39.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 3.8199999999999998 109.699 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.56 -29.0 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 3.98 109.753 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 93.7 mt -55.59 -41.74 73.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 4.0999999999999996 109.872 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HG3' HH11 ' A' ' 17' ' ' ARG . 19.5 mmt85 -68.99 -47.71 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.776 -0.647 . . . . 6.3200000000000003 110.069 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' A' ' 20' ' ' ARG . 51.4 mm -60.53 -40.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 3.3799999999999999 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.13 42.8 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.938 -0.574 . . . . 4.3200000000000003 111.172 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG3' ' A' ' 20' ' ' ARG . 34.5 ttm-85 -175.96 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.985 -0.746 . . . . 7.0700000000000003 108.985 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.15 43.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 5.0199999999999996 110.083 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' ARG . 60.8 tp 178.95 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 7.0 110.618 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 p -69.9 29.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.529 0.566 . . . . 6.8799999999999999 112.529 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 22' ' ' LEU . 67.0 mtp180 52.87 14.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.029 0.381 . . . . 10.630000000000001 112.029 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 20' ' ' ARG . 45.9 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.387 -0.816 . . . . 10.67 110.368 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.789 0.328 . . . . 10.210000000000001 111.093 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.31 50.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.415 0.626 . . . . 7.1399999999999997 110.618 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.635 ' HB3' HG12 ' A' ' 6' ' ' VAL . 1.3 t70 -151.58 146.42 25.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.361 -0.836 . . . . 5.7800000000000002 109.209 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 4' ' ' LYS . 4.5 mptp? -64.2 -43.3 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.238 0.829 . . . . 6.3600000000000003 113.238 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.526 ' HD3' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.47 -44.06 88.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.743 -0.383 . . . . 5.2300000000000004 111.062 -179.256 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.635 HG12 ' HB3' ' A' ' 3' ' ' ASP . 13.1 p -72.26 33.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.441 0.638 . . . . 3.2599999999999998 111.214 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -161.84 -54.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.05 -0.722 . . . . 1.8400000000000001 109.05 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 33.3 t70 -50.79 -44.75 58.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.438 -0.801 . . . . 2.8500000000000001 109.147 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -57.64 -37.77 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 4.0099999999999998 109.412 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.61 HG12 ' NZ ' ' A' ' 14' ' ' LYS . 33.2 t -54.75 -37.61 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 109.163 -0.68 . . . . 1.71 109.163 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.8 tm? -63.79 -43.01 97.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.42 -0.956 . . . . 2.6899999999999999 108.42 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 89.7 mt -61.53 -36.95 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.658 -0.701 . . . . 2.77 110.46 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.95 -38.73 70.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.253 0.549 . . . . 2.27 109.816 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.61 ' NZ ' HG12 ' A' ' 10' ' ' VAL . 58.0 mttp -84.39 -56.22 3.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 3.8199999999999998 111.057 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 13.0 mm100 51.31 18.25 0.6 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.114 -0.494 . . . . 3.98 111.276 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.6 tt -63.72 -47.65 80.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.16 -0.473 . . . . 4.0999999999999996 109.8 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' NE ' HD21 ' A' ' 11' ' ' LEU . 14.4 ptp180 -54.66 -44.52 73.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.615 -0.513 . . . . 6.3200000000000003 109.615 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 20' ' ' ARG . 41.4 mm -61.73 -48.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.018 -0.734 . . . . 3.3799999999999999 109.018 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.3 mmt -76.3 40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 4.3200000000000003 110.109 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HD3' ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -154.24 -52.36 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.259 -1.015 . . . . 7.0700000000000003 108.259 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 17' ' ' ARG . 94.5 mt -61.63 -38.64 88.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 107.938 -1.134 . . . . 5.0199999999999996 107.938 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.633 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.9 tm? -108.62 121.77 45.7 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.638 -1.165 . . . . 7.0 108.461 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 t 179.78 -43.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.045 0.45 . . . . 6.8799999999999999 110.442 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -101.48 37.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 10.630000000000001 109.671 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.77 -1.11 . . . . 10.67 110.108 -179.79 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 3' ' ' ASP . 86.6 m-70 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.069 0.461 . . . . 10.210000000000001 109.93 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 2' ' ' VAL . 19.9 t -78.93 44.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 7.1399999999999997 109.474 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 1' ' ' HIS . 1.4 m-20 -121.06 -70.95 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 5.7800000000000002 109.184 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -65.52 -42.29 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.583 0.706 . . . . 6.3600000000000003 110.522 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 9' ' ' LYS . 63.9 tttp -59.26 -29.59 67.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.291 -0.868 . . . . 5.2300000000000004 111.711 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 94.0 t -63.15 87.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 114.21 1.189 . . . . 3.2599999999999998 114.21 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 70.81 -50.38 0.68 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.826 1.047 . . . . 1.8400000000000001 113.826 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' ALA . 34.1 t70 -39.24 -38.0 0.47 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.577 -0.527 . . . . 2.8500000000000001 109.577 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG3' ' HA ' ' A' ' 5' ' ' LYS . 44.0 mtpt -61.72 -53.32 57.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.735 -0.666 . . . . 4.0099999999999998 110.783 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' ALA . 72.9 t -56.99 -47.25 83.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.483 0.659 . . . . 1.71 109.432 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 39.4 tp -60.37 -37.93 82.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.008 -0.997 . . . . 2.6899999999999999 109.889 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.49 -62.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.064 0.459 . . . . 2.77 110.993 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -57.4 -41.55 80.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 2.27 111.512 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' HD12 ' A' ' 13' ' ' LEU . 28.5 mtpp -72.68 -49.27 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.73 -0.388 . . . . 3.8199999999999998 110.949 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 61.9 tt0 -50.85 -39.37 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.92 -0.4 . . . . 3.98 109.92 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.9 -39.31 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.354 -0.61 . . . . 4.0999999999999996 109.354 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.08 -44.36 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.329 -0.851 . . . . 6.3200000000000003 110.14 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.66 -50.32 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 3.3799999999999999 110.161 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 20.5 mmt -56.57 -42.61 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.234 0.54 . . . . 4.3200000000000003 109.682 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -99.09 32.61 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 7.0700000000000003 110.309 178.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.861 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.2 pp -53.68 -33.89 56.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.293 0.568 . . . . 5.0199999999999996 110.224 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.861 ' N ' HD12 ' A' ' 21' ' ' LEU . 74.2 mt -159.24 -57.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.032 -0.985 . . . . 7.0 108.799 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p 42.06 65.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 6.8799999999999999 111.672 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -62.16 -41.78 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.5 -0.556 . . . . 10.630000000000001 109.5 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.988 -1.006 . . . . 10.67 111.012 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.3 m80 . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 110.457 -0.201 . . . . 10.210000000000001 110.457 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.713 HG12 HG11 ' A' ' 6' ' ' VAL . 14.9 p -178.75 -42.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 123.286 0.366 . . . . 7.1399999999999997 110.607 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 3' ' ' ASP . 14.5 t0 -144.42 34.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.217 0.532 . . . . 5.7800000000000002 111.397 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 6' ' ' VAL . 26.9 ttpp 57.77 147.31 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.36 0.6 . . . . 6.3600000000000003 111.779 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' ' 7' ' ' ALA . 86.1 tttt 63.44 -4.72 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.141 -0.481 . . . . 5.2300000000000004 111.149 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.713 HG11 HG12 ' A' ' 2' ' ' VAL . 13.0 p -73.68 45.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.507 0.67 . . . . 3.2599999999999998 110.581 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -164.77 -47.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.305 -0.861 . . . . 1.8400000000000001 108.94 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 22.7 t70 -55.43 -45.34 76.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.363 -0.835 . . . . 2.8500000000000001 109.463 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HG2' HD23 ' A' ' 13' ' ' LEU . 87.2 tttt -76.72 -36.54 57.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.74 . . . . 4.0099999999999998 109.884 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 59.2 t -55.97 -44.31 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.603 -0.726 . . . . 1.71 111.777 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.9 pp -67.02 -38.29 85.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.936 0.347 . . . . 2.6899999999999999 111.936 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.972 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.8 pp -78.66 -41.17 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 2.77 111.739 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.972 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.4 pp -59.54 -31.31 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.99 -0.444 . . . . 2.27 110.962 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.822 ' N ' HD12 ' A' ' 13' ' ' LEU . 60.3 pttt -79.9 14.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.948 -0.301 . . . . 3.8199999999999998 111.559 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 26.4 pt20 -162.66 -59.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.097 -0.241 . . . . 3.98 111.31 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.2 tp -57.62 -47.37 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.498 . . . . 4.0999999999999996 110.0 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -65.59 -47.84 74.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 6.3200000000000003 109.857 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.4 mt -51.66 -41.45 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 3.3799999999999999 110.141 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.6 ttm -41.24 -32.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 4.3200000000000003 111.213 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HA ' HG22 ' A' ' 23' ' ' THR . 38.4 ptt180 -45.72 -44.76 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.421 . . . . 7.0700000000000003 111.261 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.655 ' C ' HD12 ' A' ' 21' ' ' LEU . 2.6 pp -64.74 -32.86 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 5.0199999999999996 110.946 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 58.8 tp -77.75 -51.41 10.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.164 -0.471 . . . . 7.0 110.992 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 20' ' ' ARG . 15.0 t -63.16 -31.96 73.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 6.8799999999999999 110.902 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' THR . 21.5 mmt85 75.42 -52.19 0.65 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.835 -0.621 . . . . 10.630000000000001 110.904 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.901 -0.571 . . . . 10.67 109.773 -179.792 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.452 0.168 . . . . 10.210000000000001 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 3' ' ' ASP . 7.3 p -49.61 -41.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.918 -0.401 . . . . 7.1399999999999997 109.918 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.2 t70 172.09 -24.18 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.339 -0.846 . . . . 5.7800000000000002 109.893 178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 64.7 tttm 74.72 145.63 0.08 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.654 -0.703 . . . . 6.3600000000000003 110.367 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 58.5 pttt 64.27 -36.62 0.18 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.126 0.971 . . . . 5.2300000000000004 112.047 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 6' ' ' VAL . 91.2 t -76.35 43.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 122.252 1.025 . . . . 3.2599999999999998 109.621 177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -167.68 -43.68 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.214 -1.357 . . . . 1.8400000000000001 107.404 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.52 -50.93 32.59 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.942 -1.027 . . . . 2.8500000000000001 109.509 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 4.3 tmmm? -55.62 -48.78 74.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.621 -0.718 . . . . 4.0099999999999998 110.257 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.7 p -66.36 -48.32 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 1.71 110.601 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HG13 ' A' ' 10' ' ' VAL . 89.5 mt -75.06 39.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 2.6899999999999999 111.803 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -161.34 -49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.615 . . . . 2.77 109.338 178.432 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -82.02 -55.03 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.214 -0.662 . . . . 2.27 109.214 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.19 -43.57 73.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.143 -0.688 . . . . 3.8199999999999998 109.143 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.11 -54.33 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 3.98 110.808 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 95.5 mt -59.2 -43.28 92.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.207 0.527 . . . . 4.0999999999999996 109.766 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -57.01 -43.93 82.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.754 -0.657 . . . . 6.3200000000000003 109.606 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.12 -39.85 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 3.3799999999999999 110.099 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.672 ' SD ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.46 -39.77 70.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 4.3200000000000003 109.902 179.597 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HG2' ' SD ' ' A' ' 19' ' ' MET . 9.9 mmp_? -132.05 55.68 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.531 0.681 . . . . 7.0700000000000003 110.883 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.0 pp -74.78 45.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.156 -0.929 . . . . 5.0199999999999996 110.763 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt 53.01 28.54 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.449 0.642 . . . . 7.0 110.218 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 23' ' ' THR . 12.9 m 43.13 33.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.838 -1.073 . . . . 6.8799999999999999 111.451 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 24' ' ' ARG . 70.4 mtt-85 -65.29 -16.53 63.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 10.630000000000001 110.447 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.6 pp . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.662 -0.699 . . . . 10.67 110.197 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 59.1 m170 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.837 -0.431 . . . . 10.210000000000001 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' HA ' ' CG1' ' A' ' 6' ' ' VAL . 95.8 t -69.64 -67.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 7.1399999999999997 110.664 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 46.94 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 5.7800000000000002 111.393 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -171.24 60.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.63 0.728 . . . . 6.3600000000000003 109.114 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.606 ' C ' ' H ' ' A' ' 7' ' ' ALA . 17.1 tppt? -161.77 -30.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.175 -0.92 . . . . 5.2300000000000004 111.266 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 2' ' ' VAL . 9.9 p -65.06 18.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.142 0.496 . . . . 3.2599999999999998 111.357 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.606 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -141.59 29.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.435 -0.95 . . . . 1.8400000000000001 108.435 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -155.98 -53.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.763 -1.562 . . . . 2.8500000000000001 108.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HB2' ' HD2' ' A' ' 5' ' ' LYS . 59.3 tttm -65.16 -45.84 83.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 4.0099999999999998 110.125 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -50.11 -49.58 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.331 -0.618 . . . . 1.71 109.331 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.68 -41.64 87.78 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.472 -0.786 . . . . 2.6899999999999999 109.438 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -50.12 -48.59 53.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 2.77 109.935 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -40.68 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.538 . . . . 2.27 110.055 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.31 -42.42 99.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.414 0.626 . . . . 3.8199999999999998 109.494 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ILE . 88.5 mt-30 -61.63 -33.12 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.232 -0.895 . . . . 3.98 110.605 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.4 tm? -40.05 -49.04 2.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.999 0.428 . . . . 4.0999999999999996 110.057 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -49.93 -47.51 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.334 -0.617 . . . . 6.3200000000000003 109.334 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLN . 54.2 mt -64.82 -42.35 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.478 -0.783 . . . . 3.3799999999999999 110.177 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.581 ' HB3' ' NH2' ' A' ' 20' ' ' ARG . 7.3 mmt -54.78 -36.92 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 4.3200000000000003 109.276 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.581 ' NH2' ' HB3' ' A' ' 19' ' ' MET . 14.8 mmp_? -94.85 31.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.562 -0.745 . . . . 7.0700000000000003 109.87 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.891 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.9 pp -52.75 -38.02 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 5.0199999999999996 110.693 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.891 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.3 tm? -174.4 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.97 -0.559 . . . . 7.0 110.11 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 6.7 p -71.93 -83.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 6.8799999999999999 110.381 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' H ' HD12 ' A' ' 25' ' ' LEU . 38.8 ptt180 170.98 -40.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 10.630000000000001 110.859 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.65 -0.691 . . . . 10.67 110.141 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 2' ' ' VAL . 24.1 t-80 . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 110.499 -0.186 . . . . 10.210000000000001 110.499 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.488 ' O ' ' ND1' ' A' ' 1' ' ' HIS . 5.7 p -55.62 138.24 16.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.236 -0.283 . . . . 7.1399999999999997 110.236 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -73.19 34.45 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 5.7800000000000002 110.93 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 2' ' ' VAL . 23.4 tptm -54.21 104.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.913 0.387 . . . . 6.3600000000000003 110.509 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 7' ' ' ALA . 67.6 mttm 60.51 8.24 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.667 . . . . 5.2300000000000004 111.035 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 6' ' ' VAL . 28.7 t -77.14 45.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.914 0.864 . . . . 3.2599999999999998 109.861 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -170.35 -39.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.339 -1.3 . . . . 1.8400000000000001 108.246 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -59.29 -53.26 60.29 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.285 -0.871 . . . . 2.8500000000000001 109.472 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.07 -49.54 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.714 . . . . 4.0099999999999998 110.027 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 t -52.3 -50.9 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.9 -0.591 . . . . 1.71 109.787 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -55.95 -51.85 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 2.6899999999999999 110.767 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.2 mt -56.39 -43.36 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 2.77 110.379 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 15' ' ' GLN . 94.8 mt -62.82 -51.83 65.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.948 -0.569 . . . . 2.27 110.115 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 10.6 ptmm? -75.89 31.93 0.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.907 0.384 . . . . 3.8199999999999998 110.907 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 13' ' ' LEU . 4.8 tp60 -140.93 -57.34 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.084 -0.709 . . . . 3.98 109.084 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.2 tt -53.24 -47.19 69.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.013 -0.736 . . . . 4.0999999999999996 109.013 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -55.35 -37.75 67.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.645 -0.707 . . . . 6.3200000000000003 109.876 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.21 -47.95 89.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 109.863 -0.421 . . . . 3.3799999999999999 109.863 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.24 -39.88 84.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.484 0.659 . . . . 4.3200000000000003 109.845 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -67.3 -49.43 64.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.063 -0.971 . . . . 7.0700000000000003 112.334 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.14 -40.8 36.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.421 0.526 . . . . 5.0199999999999996 112.421 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 22' ' ' LEU . 2.0 tm? -48.58 -52.21 23.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.623 -0.262 . . . . 7.0 111.252 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 HD12 ' A' ' 22' ' ' LEU . 14.1 t -168.59 140.59 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 6.8799999999999999 111.573 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.547 HH11 ' HA ' ' A' ' 24' ' ' ARG . 5.1 mmm180 -157.03 44.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.589 . . . . 10.630000000000001 109.922 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.785 -1.102 . . . . 10.67 110.451 -179.469 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.653 0.263 . . . . 10.210000000000001 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.547 HG11 HG12 ' A' ' 6' ' ' VAL . 17.9 m -46.07 124.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 7.1399999999999997 111.525 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.51 -42.46 70.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 5.7800000000000002 110.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -157.03 60.26 0.52 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.63 -0.714 . . . . 6.3600000000000003 110.269 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HG2' ' HD3' ' A' ' 9' ' ' LYS . 54.4 mttp 68.69 166.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 5.2300000000000004 110.655 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.547 HG12 HG11 ' A' ' 2' ' ' VAL . 11.4 p -154.87 42.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.562 0.696 . . . . 3.2599999999999998 109.443 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 72.02 -60.89 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.972 -1.013 . . . . 1.8400000000000001 110.527 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 55.8 m-20 -48.81 -46.21 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.365 0.603 . . . . 2.8500000000000001 109.729 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HD3' ' HG2' ' A' ' 5' ' ' LYS . 76.2 tttt -52.05 -44.0 64.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 4.0099999999999998 110.163 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.53 -42.01 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.424 -0.584 . . . . 1.71 109.424 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 45.9 tp -57.41 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.609 -0.723 . . . . 2.6899999999999999 109.763 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.78 -41.64 97.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.502 . . . . 2.77 109.778 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 95.0 mt -61.3 -38.97 88.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 2.27 111.679 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.68 7.17 4.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.676 -0.409 . . . . 3.8199999999999998 111.652 -179.743 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 6.4 pt20 -162.19 43.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.243 0.544 . . . . 3.98 110.661 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.09 -52.82 53.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 4.0999999999999996 110.166 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 53.3 ttm-85 -63.43 -43.28 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.781 -0.645 . . . . 6.3200000000000003 109.536 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 15' ' ' GLN . 72.0 mt -58.8 -42.23 84.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 3.3799999999999999 110.191 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.8 tpt -61.79 -55.29 31.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.978 -0.555 . . . . 4.3200000000000003 111.11 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.606 ' C ' ' H ' ' A' ' 22' ' ' LEU . 17.0 ptp180 -56.08 -44.85 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.573 -0.899 . . . . 7.0700000000000003 108.573 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.97 28.4 0.06 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.57 0.7 . . . . 5.0199999999999996 109.627 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 20' ' ' ARG . 29.0 tp -157.31 38.7 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.161 -1.051 . . . . 7.0 108.161 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 14.7 m -146.47 -54.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.605 -1.179 . . . . 6.8799999999999999 110.089 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.61 ' C ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER 147.18 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.566 0.746 . . . . 10.630000000000001 110.192 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD12 ' C ' ' A' ' 24' ' ' ARG . 2.9 mp . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.09 -0.957 . . . . 10.67 110.887 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.515 -0.179 . . . . 10.210000000000001 110.515 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -52.13 134.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.391 . . . . 7.1399999999999997 109.946 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -139.93 141.33 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.328 0.585 . . . . 5.7800000000000002 111.307 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' VAL . 17.5 ptpt -84.18 -29.5 26.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.443 -0.798 . . . . 6.3600000000000003 111.002 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.77 31.64 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.04 -0.527 . . . . 5.2300000000000004 112.106 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.545 ' H ' ' C ' ' A' ' 4' ' ' LYS . 12.8 p -158.06 31.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.517 -0.919 . . . . 3.2599999999999998 108.517 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.94 -53.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.509 -1.223 . . . . 1.8400000000000001 109.959 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.6 p-10 -61.33 -43.92 98.06 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.61 -0.885 . . . . 2.8500000000000001 108.61 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 6.4 mtpm? -52.01 -45.8 64.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 4.0099999999999998 109.093 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -54.11 -44.21 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.563 -0.744 . . . . 1.71 109.248 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD1' HG21 ' A' ' 18' ' ' ILE . 50.2 tp -58.11 -43.73 87.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.226 -0.657 . . . . 2.6899999999999999 109.226 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -57.3 -37.85 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 2.77 110.476 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.1 mt -50.54 -37.9 41.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 2.27 111.116 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -138.52 32.74 2.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.084 0.468 . . . . 3.8199999999999998 110.975 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' LEU . 22.7 pt20 -60.28 -22.54 63.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 3.98 110.21 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.8 tm? -46.22 -60.47 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 4.0999999999999996 111.128 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.617 ' HG2' HD11 ' A' ' 21' ' ' LEU . 44.2 ttt85 -81.07 -51.76 8.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 6.3200000000000003 110.941 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.59 ' HA ' HD12 ' A' ' 21' ' ' LEU . 60.6 mt -47.83 -43.04 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.501 -0.318 . . . . 3.3799999999999999 111.314 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.53 ' O ' HD13 ' A' ' 22' ' ' LEU . 17.3 tpt -53.97 -37.27 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 4.3200000000000003 110.897 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 20.4 ptp180 -97.36 35.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 7.0700000000000003 110.57 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' A' ' 17' ' ' ARG . 96.4 mt -135.4 23.28 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 5.0199999999999996 110.796 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 19' ' ' MET . 6.4 mp -93.61 -49.63 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.636 -0.711 . . . . 7.0 109.199 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -78.93 48.72 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.335 -0.848 . . . . 6.8799999999999999 110.754 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -80.15 -42.49 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 10.630000000000001 110.853 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 25' ' ' LEU . 5.2 mp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.793 -1.098 . . . . 10.67 110.144 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.9 m170 . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.481 -0.192 . . . . 10.210000000000001 110.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.3 t -46.58 -46.1 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.256 0.55 . . . . 7.1399999999999997 109.956 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 6' ' ' VAL . 7.6 t70 166.42 104.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.853 -1.067 . . . . 5.7800000000000002 109.272 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 4' ' ' LYS . 45.8 tptt -74.07 62.29 0.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.531 0.681 . . . . 6.3600000000000003 109.903 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HE2' ' N ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -160.68 -44.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.865 -1.061 . . . . 5.2300000000000004 108.942 -179.2 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 6' ' ' VAL . 9.4 p -60.7 77.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.611 -0.722 . . . . 3.2599999999999998 110.987 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 168.13 -52.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.222 -0.899 . . . . 1.8400000000000001 109.677 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -52.63 -40.61 62.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 2.8500000000000001 110.576 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -52.9 -42.04 64.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 4.0099999999999998 110.619 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -49.5 -50.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.387 0.613 . . . . 1.71 109.666 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.96 -38.44 82.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.865 . . . . 2.6899999999999999 109.431 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.48 -36.43 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.446 -0.797 . . . . 2.77 109.9 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -58.84 -30.98 68.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 2.27 110.18 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG2' HD11 ' A' ' 18' ' ' ILE . 40.4 ttmt -167.68 94.41 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.198 0.523 . . . . 3.8199999999999998 111.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -168.35 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.863 -0.791 . . . . 3.98 108.863 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.4 mm? -74.65 -48.27 27.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.187 -0.671 . . . . 4.0999999999999996 109.187 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -33.14 26.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.639 -0.71 . . . . 6.3200000000000003 109.843 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' HG2' ' A' ' 14' ' ' LYS . 60.0 mt -56.48 -43.0 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.606 -0.724 . . . . 3.3799999999999999 109.171 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.91 47.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.424 -0.807 . . . . 4.3200000000000003 109.926 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -165.77 -45.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.935 -0.575 . . . . 7.0700000000000003 110.421 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.2 pp 35.82 46.62 0.34 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.276 0.56 . . . . 5.0199999999999996 110.089 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.4 tm? -18.02 117.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 114.788 -1.096 . . . . 7.0 111.696 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.516 ' N ' HD13 ' A' ' 22' ' ' LEU . 10.4 t -164.61 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.825 -1.08 . . . . 6.8799999999999999 109.658 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 23' ' ' THR . 21.0 tpp180 72.08 -38.08 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.982 -0.554 . . . . 10.630000000000001 111.613 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 23' ' ' THR . 32.1 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 119.069 -0.491 . . . . 10.67 110.211 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 64.6 t60 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.358 0.123 . . . . 10.210000000000001 111.318 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 3' ' ' ASP . 17.1 m -155.35 -51.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.75 -0.204 . . . . 7.1399999999999997 111.389 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.477 ' N ' HG23 ' A' ' 2' ' ' VAL . 10.7 t70 179.17 -126.38 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.625 -0.509 . . . . 5.7800000000000002 109.625 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 22.4 tptm -87.03 173.55 9.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.987 0.515 . . . . 6.3600000000000003 110.282 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 4' ' ' LYS . 6.0 mptp? 68.27 4.61 4.26 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.955 0.354 . . . . 5.2300000000000004 111.955 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 6' ' ' VAL . 91.5 t -74.62 54.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.378 0.608 . . . . 3.2599999999999998 110.885 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 173.92 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.352 -0.981 . . . . 1.8400000000000001 108.352 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 19.4 t70 -58.83 -50.04 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.936 -1.029 . . . . 2.8500000000000001 109.779 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG3' ' HB3' ' A' ' 5' ' ' LYS . 47.0 mtmt -60.87 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.423 0.63 . . . . 4.0099999999999998 109.516 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.0 -34.18 48.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 1.71 110.331 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 56.8 tp -46.03 -36.29 5.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.236 -0.438 . . . . 2.6899999999999999 109.913 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.516 -0.55 . . . . 2.77 109.516 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.83 -44.24 97.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.572 -0.74 . . . . 2.27 109.507 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 20.2 tptm -60.79 -48.28 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.64 -0.709 . . . . 3.8199999999999998 109.959 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.16 -47.01 82.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 3.98 109.591 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.4 tt -49.77 -49.25 49.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.253 0.549 . . . . 4.0999999999999996 109.521 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 55.7 ttm-85 -52.26 -32.91 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 6.3200000000000003 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 21' ' ' LEU . 66.6 mt -85.22 -30.76 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.319 -0.855 . . . . 3.3799999999999999 110.911 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 23' ' ' THR . 68.1 mtt -56.54 -51.67 67.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 4.3200000000000003 111.577 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 40.2 ptt180 -41.81 -27.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.564 0.221 . . . . 7.0700000000000003 111.528 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 18' ' ' ILE . 6.7 mp -70.81 69.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 5.0199999999999996 111.784 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 19.0 tp 67.01 10.9 8.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.413 0.894 . . . . 7.0 113.413 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' MET . 13.5 m -81.07 55.3 2.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 6.8799999999999999 110.136 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 22' ' ' LEU . 8.2 mpt_? -62.78 -22.4 66.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.659 -0.7 . . . . 10.630000000000001 111.247 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.882 -0.58 . . . . 10.67 110.261 -178.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 3' ' ' ASP . 4.8 t-80 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.592 0.234 . . . . 10.210000000000001 110.893 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 2' ' ' VAL . 29.1 m -66.26 67.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 7.1399999999999997 111.346 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 1' ' ' HIS . 25.2 m-20 -60.27 -44.6 95.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 5.7800000000000002 110.376 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 56.4 -89.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.8 -0.636 . . . . 6.3600000000000003 109.74 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 7' ' ' ALA . 20.2 pttp -80.47 53.57 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 5.2300000000000004 109.423 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 6' ' ' VAL . 12.4 p -61.59 69.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 114.946 -1.025 . . . . 3.2599999999999998 111.669 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . 172.95 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.479 -0.782 . . . . 1.8400000000000001 109.429 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.69 -50.34 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 2.8500000000000001 110.746 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -57.9 -44.08 86.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 4.0099999999999998 110.988 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.47 -48.61 87.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.114 -0.699 . . . . 1.71 109.114 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 ' HE2' ' A' ' 14' ' ' LYS . 46.4 tp -52.94 -41.76 64.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.143 -0.935 . . . . 2.6899999999999999 108.69 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.0 tp -60.25 -48.11 83.15 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.012 -0.995 . . . . 2.77 109.952 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 82.1 mt -52.52 -56.28 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 2.27 111.388 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HE2' HD12 ' A' ' 11' ' ' LEU . 64.8 pttt -66.68 -44.12 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.83 -0.348 . . . . 3.8199999999999998 110.79 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -50.35 -48.9 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 3.98 110.018 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 12' ' ' LEU . 9.2 mp -60.37 -43.27 96.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.87 -0.605 . . . . 4.0999999999999996 109.89 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 99.8 mtt180 -56.13 -45.28 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.265 -0.643 . . . . 6.3200000000000003 109.265 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.453 ' HA ' HD11 ' A' ' 21' ' ' LEU . 87.1 mt -58.55 -40.62 79.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.477 -0.783 . . . . 3.3799999999999999 110.445 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -53.06 -37.11 61.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.438 -0.578 . . . . 4.3200000000000003 109.438 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.88 29.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.479 -0.782 . . . . 7.0700000000000003 111.343 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.8 pp -168.88 33.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.121 0.486 . . . . 5.0199999999999996 111.085 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 tp 179.06 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.68 -0.691 . . . . 7.0 110.341 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 23' ' ' THR . 7.2 m -83.94 36.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 6.8799999999999999 111.343 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.441 HH11 ' HG3' ' A' ' 24' ' ' ARG . 15.8 tpt85 -174.38 61.78 0.02 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.332 0.587 . . . . 10.630000000000001 110.846 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 pp . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.051 -0.976 . . . . 10.67 110.228 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.065 0.46 . . . . 10.210000000000001 111.211 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 2' ' ' VAL . 6.3 t -151.95 31.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.691 -0.686 . . . . 7.1399999999999997 109.172 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.84 ' O ' HG12 ' A' ' 6' ' ' VAL . 40.0 m-20 -80.92 140.64 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.345 -0.843 . . . . 5.7800000000000002 110.785 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -46.97 -45.73 21.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.398 0.618 . . . . 6.3600000000000003 109.884 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -84.38 43.72 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.423 -0.808 . . . . 5.2300000000000004 111.985 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 3' ' ' ASP . 6.5 p -124.95 111.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.079 0.466 . . . . 3.2599999999999998 110.854 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 69.88 -57.89 0.54 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.914 -0.585 . . . . 1.8400000000000001 111.313 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.729 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -44.05 -34.06 1.64 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.562 0.696 . . . . 2.8500000000000001 111.069 179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 18.5 ptpt -50.04 -40.99 46.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.31 -0.859 . . . . 4.0099999999999998 111.477 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.494 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 83.8 t -66.93 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 113.21 0.818 . . . . 1.71 113.21 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 8' ' ' ASP . 1.7 pt? -60.44 -36.82 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.825 -0.75 . . . . 2.6899999999999999 111.069 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 8' ' ' ASP . 6.8 mp -49.68 -39.78 37.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 2.77 111.233 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -49.18 -29.92 6.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 2.27 111.831 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -111.83 -36.04 5.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 3.8199999999999998 110.724 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' OE1' HD12 ' A' ' 12' ' ' LEU . 63.2 tt0 -45.6 -44.7 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.594 . . . . 3.98 111.185 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.16 -39.13 27.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.252 0.549 . . . . 4.0999999999999996 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -76.04 -43.5 43.63 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 6.3200000000000003 109.594 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.639 HG22 HD23 ' A' ' 21' ' ' LEU . 57.5 mt -55.95 -31.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.677 -0.692 . . . . 3.3799999999999999 109.923 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HG2' HH21 ' A' ' 20' ' ' ARG . 23.5 ttt -53.74 -19.21 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 4.3200000000000003 110.182 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.583 ' HE ' ' N ' ' A' ' 20' ' ' ARG . 1.7 mmp_? -81.35 6.41 14.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 7.0700000000000003 110.423 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.6 pp -60.25 -30.23 69.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.521 -0.763 . . . . 5.0199999999999996 109.567 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.871 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.2 tm? -169.27 135.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.933 -1.031 . . . . 7.0 108.86 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.662 ' N ' HD13 ' A' ' 22' ' ' LEU . 6.0 t -167.81 48.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.375 0.607 . . . . 6.8799999999999999 110.551 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 2.9 mmp_? -95.71 122.84 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.73 -0.668 . . . . 10.630000000000001 109.545 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 10.67 109.817 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.948 0.404 . . . . 10.210000000000001 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 2' ' ' VAL . 33.9 m -144.25 44.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.375 -0.972 . . . . 7.1399999999999997 108.375 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -160.23 45.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.344 -1.298 . . . . 5.7800000000000002 110.395 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -158.27 -54.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.027 -0.533 . . . . 6.3600000000000003 110.199 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -82.09 -40.11 22.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.402 0.62 . . . . 5.2300000000000004 109.689 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 14.8 m -47.33 116.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.132 -0.94 . . . . 3.2599999999999998 111.84 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 75.02 -58.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.231 -0.895 . . . . 1.8400000000000001 111.647 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 39.3 m-20 -49.22 -40.97 35.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.408 . . . . 2.8500000000000001 110.435 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -54.24 -41.68 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.517 -0.549 . . . . 4.0099999999999998 109.517 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.83 -44.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.643 -0.873 . . . . 1.71 108.643 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 11' ' ' LEU . 1.7 tt -59.25 -39.51 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.389 -0.823 . . . . 2.6899999999999999 109.199 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.42 -38.96 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.862 -0.608 . . . . 2.77 110.12 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.31 -50.83 68.59 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.692 -0.484 . . . . 2.27 109.692 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 28.2 ttpp -66.14 -41.72 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 3.8199999999999998 109.237 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -56.42 -35.7 68.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.356 -0.838 . . . . 3.98 110.171 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 16' ' ' LEU . 2.9 tm? -47.98 -43.14 29.31 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.154 -0.684 . . . . 4.0999999999999996 109.154 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' LYS . 24.0 ttt180 -60.03 -47.2 86.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 6.3200000000000003 109.522 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.61 -44.88 71.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 3.3799999999999999 109.525 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.09 -43.78 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.531 -0.759 . . . . 4.3200000000000003 110.26 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.726 ' O ' HG23 ' A' ' 23' ' ' THR . 64.9 ttp85 -57.84 -45.93 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 7.0700000000000003 110.211 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.64 -42.09 64.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.88 -0.6 . . . . 5.0199999999999996 110.323 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 tp -75.52 42.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 7.0 111.18 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 20' ' ' ARG . 19.9 p -53.69 -48.78 69.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 6.8799999999999999 110.268 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 173.04 -37.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.155 -0.929 . . . . 10.630000000000001 109.894 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' C ' HD13 ' A' ' 25' ' ' LEU . 2.0 tm? . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.433 -0.794 . . . . 10.67 109.345 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.459 ' CD2' HG22 ' A' ' 2' ' ' VAL . 7.5 p-80 . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 109.742 -0.466 . . . . 10.210000000000001 109.742 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 1' ' ' HIS . 28.3 m 41.63 39.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.495 0.664 . . . . 7.1399999999999997 110.209 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.37 145.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.017 -0.992 . . . . 5.7800000000000002 111.324 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 mttt 64.25 -160.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 6.3600000000000003 110.346 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 40.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.509 . . . . 5.2300000000000004 109.699 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 7.1 p -50.65 112.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.692 -0.685 . . . . 3.2599999999999998 110.551 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 75.5 -47.26 0.59 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.581 -0.736 . . . . 1.8400000000000001 110.48 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' HD13 ' A' ' 12' ' ' LEU . 55.0 m-20 -49.41 -39.97 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 2.8500000000000001 110.241 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -52.64 -49.55 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 4.0099999999999998 110.307 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.12 -45.71 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.771 . . . . 1.71 110.498 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -54.36 -48.74 71.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 2.6899999999999999 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 8' ' ' ASP . 11.1 mp -66.41 -59.95 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 2.77 111.993 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.905 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -50.96 -43.09 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 2.27 110.748 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.905 ' N ' HD12 ' A' ' 13' ' ' LEU . 27.7 ttpp -71.73 -42.45 67.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.333 0.587 . . . . 3.8199999999999998 110.482 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -57.08 -43.27 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 3.98 110.706 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 91.5 mt -44.67 -29.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 4.0999999999999996 111.337 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -104.06 -51.81 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.691 0.282 . . . . 6.3200000000000003 111.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' A' ' 14' ' ' LYS . 31.9 mt -53.77 -30.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 3.3799999999999999 110.978 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.9 ttt -43.57 -31.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 4.3200000000000003 111.134 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 27.3 tpt180 -169.73 38.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 7.0700000000000003 110.417 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.647 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER 32.96 37.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.741 0.781 . . . . 5.0199999999999996 110.88 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.9 tm? 175.88 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.37 -1.344 . . . . 7.0 107.37 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.512 ' O ' HD13 ' A' ' 22' ' ' LEU . 13.2 m 59.12 145.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.677 -1.147 . . . . 6.8799999999999999 112.924 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -76.52 52.17 0.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.874 -0.787 . . . . 10.630000000000001 108.874 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.645 ' C ' HD13 ' A' ' 25' ' ' LEU . 2.8 tm? . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.307 -0.854 . . . . 10.67 109.942 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.92 0.391 . . . . 10.210000000000001 110.542 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.7 t -69.83 141.67 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 7.1399999999999997 110.771 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -179.0 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.147 0.498 . . . . 5.7800000000000002 110.61 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -157.81 -54.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.907 -0.588 . . . . 6.3600000000000003 109.64 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -58.57 -57.07 14.6 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.738 -0.467 . . . . 5.2300000000000004 109.738 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 6' ' ' VAL . 61.4 t -75.66 56.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 3.2599999999999998 110.701 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.74 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.447 -0.797 . . . . 1.8400000000000001 108.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 11.6 t70 -70.53 -51.22 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.931 -1.031 . . . . 2.8500000000000001 109.584 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.44 -39.5 85.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.938 -0.764 . . . . 4.0099999999999998 108.938 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.32 -56.38 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 114.953 -1.021 . . . . 1.71 111.263 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.779 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.2 pp -58.87 -34.8 72.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.664 -0.414 . . . . 2.6899999999999999 109.949 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.779 ' N ' HD12 ' A' ' 11' ' ' LEU . 4.7 tt -64.07 -59.49 4.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 2.77 111.102 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.894 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -63.43 -38.64 91.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.18 0.514 . . . . 2.27 110.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.894 ' N ' HD12 ' A' ' 13' ' ' LEU . 48.5 tttp -61.98 -50.55 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.775 -0.648 . . . . 3.8199999999999998 109.841 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HA ' HD12 ' A' ' 18' ' ' ILE . 65.5 tt0 -48.96 -45.29 41.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.252 -0.885 . . . . 3.98 110.508 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.67 -49.29 65.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.272 0.558 . . . . 4.0999999999999996 109.564 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG2' HD12 ' A' ' 21' ' ' LEU . 58.3 ttp180 -65.44 -38.51 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.689 -0.687 . . . . 6.3200000000000003 110.364 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 15' ' ' GLN . 85.1 mt -57.26 -46.9 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 3.3799999999999999 110.037 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.1 tpt -69.26 -51.47 37.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 4.3200000000000003 110.27 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -55.13 -35.77 65.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 7.0700000000000003 110.278 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 17' ' ' ARG . 88.7 mt -108.27 31.32 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 5.0199999999999996 110.291 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' THR . 61.4 tp -56.96 -48.21 78.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.338 0.59 . . . . 7.0 109.54 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' LEU . 45.6 p -161.06 130.77 4.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.085 -0.961 . . . . 6.8799999999999999 109.621 178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -60.09 -34.95 74.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 10.630000000000001 109.889 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.5 pp . . . . . 0 C--O 1.254 1.312 0 CA-C-O 118.119 -0.943 . . . . 10.67 110.302 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.911 0.386 . . . . 10.210000000000001 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 2' ' ' VAL . 11.1 p -73.46 56.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 7.1399999999999997 110.903 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.57 -157.95 0.02 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.161 -0.472 . . . . 5.7800000000000002 110.415 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 6' ' ' VAL . 22.9 tptm 66.07 140.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.987 0.422 . . . . 6.3600000000000003 110.584 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 22.3 pttp 48.31 23.91 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.174 0.512 . . . . 5.2300000000000004 111.075 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 4' ' ' LYS . 79.9 t -108.94 49.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.731 0.777 . . . . 3.2599999999999998 109.425 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.84 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.863 -1.062 . . . . 1.8400000000000001 109.39 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.67 -58.29 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.764 . . . . 2.8500000000000001 110.39 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.6 -44.22 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 4.0099999999999998 110.277 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.14 -54.43 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.968 -0.56 . . . . 1.71 110.088 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.09 -37.39 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 2.6899999999999999 109.769 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -53.0 -46.19 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 2.77 109.851 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.25 -27.64 67.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 2.27 110.483 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -72.1 -49.88 32.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 3.8199999999999998 110.298 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' LEU . 14.8 pt20 -73.63 -36.6 65.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.322 -0.853 . . . . 3.98 111.247 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' GLN . 64.9 tp -22.76 -61.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 4.0999999999999996 112.681 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -56.19 -52.02 65.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 6.3200000000000003 111.187 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLN . 52.0 mt -58.89 -41.44 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 3.3799999999999999 109.984 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -52.78 -36.31 57.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.342 -0.614 . . . . 4.3200000000000003 109.342 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' THR . 41.0 ttp180 -65.0 -44.53 88.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.965 -0.754 . . . . 7.0700000000000003 108.965 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.45 -28.79 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 5.0199999999999996 109.763 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.28 -10.29 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.275 -0.875 . . . . 7.0 111.176 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 20' ' ' ARG . 69.6 p -66.3 -149.12 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.832 0.348 . . . . 6.8799999999999999 110.263 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -105.59 -10.09 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.353 0.597 . . . . 10.630000000000001 109.852 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 25' ' ' LEU . 5.6 tt . . . . . 0 C--O 1.248 0.995 0 CA-C-N 114.951 -1.022 . . . . 10.67 109.077 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.688 0.28 . . . . 10.210000000000001 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -171.05 133.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 7.1399999999999997 109.579 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.42 135.65 57.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.078 0.466 . . . . 5.7800000000000002 111.112 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 62.8 pttt -148.37 -49.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.473 -0.785 . . . . 6.3600000000000003 109.313 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.657 ' C ' ' H ' ' A' ' 7' ' ' ALA . 27.4 mmtm -63.43 -33.95 76.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.301 -0.629 . . . . 5.2300000000000004 109.301 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 6' ' ' VAL . 17.8 t -70.01 21.81 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.799 0.809 . . . . 3.2599999999999998 109.633 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.657 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -146.37 -41.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.706 -1.134 . . . . 1.8400000000000001 108.138 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.82 -44.05 66.4 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 109.168 -0.679 . . . . 2.8500000000000001 109.168 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.7 -17.84 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.377 -0.829 . . . . 4.0099999999999998 110.989 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.25 -51.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 1.71 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' CD ' ' A' ' 15' ' ' GLN . 4.2 mm? -57.19 -50.26 73.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 2.6899999999999999 111.098 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.792 ' HG ' HD22 ' A' ' 16' ' ' LEU . 7.2 mp -53.84 -24.44 15.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.343 0.497 . . . . 2.77 112.343 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -51.7 -20.2 1.97 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.871 0.367 . . . . 2.27 110.763 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB2' HD12 ' A' ' 18' ' ' ILE . 18.9 ptpt -156.3 -44.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 3.8199999999999998 110.601 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' CD ' HD12 ' A' ' 11' ' ' LEU . 36.8 tt0 -73.0 54.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 3.98 111.225 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.792 HD22 ' HG ' ' A' ' 12' ' ' LEU . 61.9 tp -158.11 -72.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.976 -0.75 . . . . 4.0999999999999996 108.976 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.53 -50.16 74.67 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.197 -0.668 . . . . 6.3200000000000003 109.197 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.851 HG22 HG22 ' A' ' 23' ' ' THR . 64.7 mt -49.09 -41.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.261 -0.644 . . . . 3.3799999999999999 109.261 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -66.3 -43.43 86.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.379 -0.828 . . . . 4.3200000000000003 109.784 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 22' ' ' LEU . 41.2 ttt85 -55.08 -42.81 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.462 -0.57 . . . . 7.0700000000000003 109.462 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.4 mm? -79.65 30.03 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 5.0199999999999996 109.903 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' ARG . 28.3 tp 44.9 35.68 1.61 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.831 -0.622 . . . . 7.0 110.602 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.851 HG22 HG22 ' A' ' 18' ' ' ILE . 21.0 p 43.21 39.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 6.8799999999999999 110.937 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -73.81 40.97 0.12 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.778 -0.646 . . . . 10.630000000000001 111.58 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.849 HD11 HG23 ' A' ' 18' ' ' ILE . 8.2 mp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.025 -0.988 . . . . 10.67 110.195 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.048 -0.353 . . . . 10.210000000000001 110.048 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.547 ' HB ' HG21 ' A' ' 6' ' ' VAL . 30.4 m -50.37 137.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 123.186 0.304 . . . . 7.1399999999999997 111.213 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 4' ' ' LYS . 48.4 p-10 -163.63 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 5.7800000000000002 111.324 -179.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' VAL . 7.1 ttpm? -131.89 149.52 52.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.66 -0.245 . . . . 6.3600000000000003 110.557 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 7' ' ' ALA . 38.5 ttpt 69.96 -20.96 0.18 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 5.2300000000000004 110.881 -179.137 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.648 ' O ' HG22 ' A' ' 6' ' ' VAL . 8.5 p -71.41 40.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.513 0.673 . . . . 3.2599999999999998 111.188 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -160.91 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.596 -0.729 . . . . 1.8400000000000001 109.18 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 10' ' ' VAL . 48.8 m-20 -55.71 -41.74 74.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.312 -0.625 . . . . 2.8500000000000001 109.312 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -70.2 28.12 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.711 -0.677 . . . . 4.0099999999999998 110.778 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 8' ' ' ASP . 54.1 t -150.0 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.758 -1.201 . . . . 1.71 107.758 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? -59.22 -48.09 82.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.77 -1.104 . . . . 2.6899999999999999 109.038 177.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 14' ' ' LYS . 94.3 mt -55.1 -43.54 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.9 -0.778 . . . . 2.77 108.9 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.66 37.2 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.249 -0.887 . . . . 2.27 110.272 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 12' ' ' LEU . 22.7 tptm -160.04 -47.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.538 -0.756 . . . . 3.8199999999999998 109.33 -179.54 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' MET . 53.6 tt0 -55.87 -35.46 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 3.98 109.55 178.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.7 tt -51.56 -56.0 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 4.0999999999999996 110.296 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 11.5 ptp180 -62.2 -31.06 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.176 0.512 . . . . 6.3200000000000003 109.747 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 79.6 mt -72.93 -27.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 3.3799999999999999 110.115 178.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.466 ' SD ' HD12 ' A' ' 22' ' ' LEU . 16.5 tpt -47.75 -47.19 30.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 4.3200000000000003 111.586 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HD2' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.4 -25.47 35.86 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.476 -0.49 . . . . 7.0700000000000003 111.105 -179.72 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 56.0 tp -68.14 -32.75 73.25 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.093 -0.706 . . . . 5.0199999999999996 109.093 178.826 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' A' ' 19' ' ' MET . 59.4 mt -74.28 46.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.223 -0.899 . . . . 7.0 110.509 179.465 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p 52.22 81.2 0.08 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 6.8799999999999999 111.261 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 8.2 ttp-105 -65.13 -32.17 73.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 10.630000000000001 109.927 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.971 -1.014 . . . . 10.67 111.168 -179.967 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.482 ' O ' ' ND1' ' A' ' 1' ' ' HIS . 16.7 p80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.486 0.184 . . . . 10.210000000000001 110.688 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.546 HG23 ' HE2' ' A' ' 4' ' ' LYS . 23.7 m -113.64 46.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.105 0.479 . . . . 7.1399999999999997 111.139 -179.758 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 21.2 t70 60.02 -136.11 0.73 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.685 -0.688 . . . . 5.7800000000000002 110.631 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' HE2' HG23 ' A' ' 2' ' ' VAL . 53.2 mtmt 52.1 -131.94 2.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.557 0.218 . . . . 6.3600000000000003 110.471 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 7' ' ' ALA . 34.4 mmtp -51.35 -38.43 53.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 5.2300000000000004 110.525 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.37 43.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.458 0.647 . . . . 3.2599999999999998 110.336 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -174.43 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.05 -0.977 . . . . 1.8400000000000001 109.023 -179.656 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.61 -45.78 14.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.24 -0.891 . . . . 2.8500000000000001 110.896 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -52.14 -49.92 62.77 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.555 -0.293 . . . . 4.0099999999999998 110.949 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.2 p -54.38 -42.8 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 1.71 110.131 179.623 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 11' ' ' LEU . 4.9 tt -63.67 -47.9 79.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.695 -0.684 . . . . 2.6899999999999999 109.94 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.11 -47.79 84.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 2.77 111.107 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.93 -47.29 71.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.071 0.462 . . . . 2.27 110.544 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -67.78 -48.39 66.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 3.8199999999999998 109.957 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -53.54 -41.44 66.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.425 -0.807 . . . . 3.98 110.453 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.0 -41.41 34.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 4.0999999999999996 109.837 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -72.16 -42.23 66.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.864 -0.607 . . . . 6.3200000000000003 109.954 179.002 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 38.5 mm -52.72 -52.55 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.145 -0.687 . . . . 3.3799999999999999 109.145 179.302 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -76.52 40.85 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 4.3200000000000003 110.016 178.07 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -144.86 -58.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 7.0700000000000003 109.459 179.705 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 18' ' ' ILE . 2.6 pt? -68.88 -41.44 78.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.444 -0.947 . . . . 5.0199999999999996 108.444 178.403 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 69.4 mt -87.34 43.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.591 -0.731 . . . . 7.0 109.159 178.011 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 m -154.36 135.91 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.587 -0.733 . . . . 6.8799999999999999 110.873 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 168.51 -34.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 10.630000000000001 110.001 -179.707 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' OXT' HD13 ' A' ' 25' ' ' LEU . 2.3 tm? . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.841 -1.076 . . . . 10.67 109.308 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.485 0.183 . . . . 10.210000000000001 111.285 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.3 m -57.1 -38.63 61.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.409 . . . . 7.1399999999999997 110.374 -179.833 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.2 t70 70.96 -54.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.296 -0.865 . . . . 5.7800000000000002 111.653 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -107.18 144.04 34.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 6.3600000000000003 110.249 179.429 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' A' ' 7' ' ' ALA . 4.7 ttmp? 70.56 34.44 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.478 0.656 . . . . 5.2300000000000004 109.532 -178.71 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.22 7.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.331 -0.85 . . . . 3.2599999999999998 111.296 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -94.25 -60.1 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.124 -0.695 . . . . 1.8400000000000001 109.124 178.651 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -69.45 -47.67 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 2.8500000000000001 109.811 178.349 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.9 mtpp -74.6 38.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 4.0099999999999998 111.147 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 8' ' ' ASP . 74.0 t -160.32 -52.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 1.71 109.047 179.105 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -51.32 -46.96 62.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.553 -0.749 . . . . 2.6899999999999999 109.833 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.0 mp -72.4 -41.57 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.797 -0.638 . . . . 2.77 110.695 179.197 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 mt -51.28 -42.3 61.02 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.077 -0.712 . . . . 2.27 109.077 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 16' ' ' LEU . 22.7 tptm -79.72 -62.06 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.493 -0.776 . . . . 3.8199999999999998 109.09 178.142 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 67.98 -41.13 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.008 0.744 . . . . 3.98 113.008 178.247 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.9 tt -28.34 -62.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 4.0999999999999996 112.539 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -49.13 -43.6 41.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 6.3200000000000003 111.379 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 63.5 mt -70.02 -42.08 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 3.3799999999999999 110.198 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.572 ' CG ' HG22 ' A' ' 23' ' ' THR . 47.3 ttm -48.88 -36.41 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 4.3200000000000003 109.92 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 16.5 mtm105 -57.04 -43.41 81.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.952 -0.567 . . . . 7.0700000000000003 110.186 179.159 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 21' ' ' LEU . 6.4 mp -69.39 -40.18 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.555 -0.748 . . . . 5.0199999999999996 109.802 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -174.65 127.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.315 -0.857 . . . . 7.0 110.186 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.572 HG22 ' CG ' ' A' ' 19' ' ' MET . 64.4 p -71.0 -54.53 10.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.367 0.604 . . . . 6.8799999999999999 110.078 179.261 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 48.9 ttm-85 50.6 37.14 15.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.378 -0.828 . . . . 10.630000000000001 109.948 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 25' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.155 -0.926 . . . . 10.67 110.436 179.666 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.448 ' O ' ' ND1' ' A' ' 1' ' ' HIS . 30.4 t-80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 111.617 0.229 . . . . 10.210000000000001 111.617 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.5 41.69 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.989 0.423 . . . . 7.1399999999999997 110.634 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 1' ' ' HIS . 1.4 m-20 -47.72 -41.95 24.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 5.7800000000000002 111.557 -179.519 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -151.94 -39.55 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 6.3600000000000003 111.677 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.584 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -174.8 129.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.03 0.443 . . . . 5.2300000000000004 111.607 -178.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.517 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.8 p -124.36 42.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.729 0.776 . . . . 3.2599999999999998 109.737 179.711 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.718 ' O ' HG12 ' A' ' 10' ' ' VAL . . . -168.89 -39.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.991 -1.004 . . . . 1.8400000000000001 109.728 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -51.06 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 2.8500000000000001 110.267 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -74.52 48.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 4.0099999999999998 111.693 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 7' ' ' ALA . 4.0 p -178.21 -35.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.142 -0.688 . . . . 1.71 109.142 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.618 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.6 tm? -56.29 -46.44 79.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.892 -1.049 . . . . 2.6899999999999999 110.128 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -61.35 -47.51 85.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 2.77 110.799 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.26 -54.26 33.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.12 0.486 . . . . 2.27 109.778 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.42 -40.96 96.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 3.8199999999999998 110.118 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -52.52 -33.78 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.4 -0.818 . . . . 3.98 110.451 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.8 tt -50.34 -49.13 54.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.99 0.424 . . . . 4.0999999999999996 110.485 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -60.69 -51.73 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 6.3200000000000003 110.514 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.7 mt -57.84 -36.15 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.868 -0.605 . . . . 3.3799999999999999 109.838 179.266 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.556 ' HG3' HD12 ' A' ' 25' ' ' LEU . 57.2 ttp -66.3 -49.88 65.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 4.3200000000000003 110.322 179.584 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -57.92 -40.07 79.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.639 -0.874 . . . . 7.0700000000000003 108.639 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.49 43.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.999 -1.0 . . . . 5.0199999999999996 110.032 179.027 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.981 HD23 HD11 ' A' ' 25' ' ' LEU . 56.5 tp -172.8 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 7.0 109.859 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 24' ' ' ARG . 20.5 m 63.15 157.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 6.8799999999999999 111.521 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' N ' HG22 ' A' ' 23' ' ' THR . 95.1 mtt180 74.62 55.35 0.08 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.046 -0.525 . . . . 10.630000000000001 110.799 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.981 HD11 HD23 ' A' ' 22' ' ' LEU . 89.8 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.972 -1.013 . . . . 10.67 110.042 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.4 m170 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.527 -0.175 . . . . 10.210000000000001 110.527 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m 45.22 38.66 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 O-C-N 123.746 0.654 . . . . 7.1399999999999997 110.92 -179.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -170.69 148.91 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.45 -0.796 . . . . 5.7800000000000002 108.877 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt 67.05 -173.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.125 -0.324 . . . . 6.3600000000000003 110.125 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' A' ' 7' ' ' ALA . 34.5 mtmm -74.11 42.95 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.64 -0.255 . . . . 5.2300000000000004 111.388 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 6' ' ' VAL . 14.8 p -73.04 36.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 3.2599999999999998 111.297 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . 174.87 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.8400000000000001 110.628 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -43.15 -45.97 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.8500000000000001 110.986 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 88.4 tttt -58.83 -44.34 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.986 0.422 . . . . 4.0099999999999998 110.077 179.319 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.37 -45.83 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.007 -0.738 . . . . 1.71 109.007 178.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 tp -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 2.6899999999999999 109.236 178.188 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 32.3 tp -60.1 -48.31 82.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.32 -0.855 . . . . 2.77 110.124 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 16' ' ' LEU . 93.7 mt -56.11 -41.93 76.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 2.27 112.415 -179.497 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 13.7 ptmm? -71.94 -37.52 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.362 -0.535 . . . . 3.8199999999999998 111.507 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' ILE . 3.0 pt20 -76.82 -36.69 56.72 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.198 -0.201 . . . . 3.98 111.496 -179.424 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 28.7 mt -42.25 -50.53 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.698 0.285 . . . . 4.0999999999999996 111.565 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' HD11 ' A' ' 21' ' ' LEU . 14.0 ptm180 -65.58 -42.08 92.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 6.3200000000000003 110.401 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 15' ' ' GLN . 76.6 mt -51.99 -31.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 3.3799999999999999 110.364 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.1 mmt -49.28 -21.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.688 -0.687 . . . . 4.3200000000000003 111.379 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.97 36.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.833 0.349 . . . . 7.0700000000000003 111.769 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 21' ' ' LEU . 13.4 mt -81.96 -33.2 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 5.0199999999999996 110.074 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.4 mm? 55.46 17.85 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.826 -0.624 . . . . 7.0 109.854 -178.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.0 p -82.01 -121.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.215 -0.902 . . . . 6.8799999999999999 109.95 179.331 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -169.48 36.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 10.630000000000001 111.198 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.255 -0.879 . . . . 10.67 111.128 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 30.4 t60 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 10.210000000000001 111.479 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.6 108.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.402 -0.592 . . . . 7.1399999999999997 109.402 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.615 ' HB2' HG23 ' A' ' 6' ' ' VAL . 48.1 m-20 -55.12 126.42 24.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.698 -0.482 . . . . 5.7800000000000002 109.698 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -51.01 -42.94 60.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 6.3600000000000003 110.964 -179.099 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' HG2' ' HB3' ' A' ' 3' ' ' ASP . 58.6 pttt -53.13 -30.52 37.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 5.2300000000000004 111.17 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.615 HG23 ' HB2' ' A' ' 3' ' ' ASP . 90.7 t -48.22 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 121.18 0.514 . . . . 3.2599999999999998 111.114 -179.783 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 72.93 -52.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.431 -0.804 . . . . 1.8400000000000001 111.543 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -50.25 -43.37 53.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.251 0.548 . . . . 2.8500000000000001 109.568 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -48.97 -40.21 29.55 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.733 -0.667 . . . . 4.0099999999999998 109.881 179.168 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -59.85 -40.19 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.674 -0.693 . . . . 1.71 109.56 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.95 -42.3 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 2.6899999999999999 109.806 178.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.69 -54.35 48.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 2.77 110.702 179.226 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.895 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -64.89 -41.92 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 2.27 110.602 -179.769 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.895 ' N ' HD12 ' A' ' 13' ' ' LEU . 16.4 tppt? -64.63 -37.66 88.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.49 . . . . 3.8199999999999998 110.412 179.616 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.725 . . . . 3.98 110.246 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.1 tt -38.29 -55.61 1.32 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 4.0999999999999996 110.831 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 21' ' ' LEU . 37.5 ptt180 -54.86 -42.42 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 6.3200000000000003 110.694 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.7 mt -56.29 -30.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 3.3799999999999999 110.723 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 56.6 mtt -59.01 -36.92 75.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 4.3200000000000003 111.556 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -170.54 49.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.727 0.298 . . . . 7.0700000000000003 110.673 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -43.3 -40.03 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 5.0199999999999996 111.141 -179.203 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.2 tp -169.08 113.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.146 -0.479 . . . . 7.0 110.38 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 m -164.0 -45.62 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.616 -0.72 . . . . 6.8799999999999999 109.513 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.457 HH11 ' HG3' ' A' ' 24' ' ' ARG . 30.2 ttt85 -72.54 136.28 45.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.797 -0.638 . . . . 10.630000000000001 110.485 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.0 pp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.704 -0.665 . . . . 10.67 109.814 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.5 m80 . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.28 0.562 . . . . 10.210000000000001 110.482 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.555 ' HA ' HG21 ' A' ' 6' ' ' VAL . 9.4 p 170.63 -35.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.798 -1.186 . . . . 7.1399999999999997 107.798 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -58.43 -24.67 60.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 113.388 -1.733 . . . . 5.7800000000000002 111.823 179.068 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -149.05 143.45 26.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.902 0.382 . . . . 6.3600000000000003 111.406 -178.549 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 57.26 41.1 27.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.801 -0.636 . . . . 5.2300000000000004 111.155 179.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 6' ' ' VAL . 80.7 t -146.52 57.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.766 0.794 . . . . 3.2599999999999998 110.174 179.242 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.87 -50.69 0.31 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.884 -1.053 . . . . 1.8400000000000001 108.661 179.237 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -58.32 -47.77 82.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.367 -0.975 . . . . 2.8500000000000001 108.367 177.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.33 -45.87 92.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.119 -0.946 . . . . 4.0099999999999998 109.975 178.511 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.44 -39.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.699 -0.682 . . . . 1.71 109.989 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.84 -41.93 42.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.701 -0.681 . . . . 2.6899999999999999 109.88 178.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.025 -0.989 . . . . 2.77 112.232 -179.173 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.974 HD12 ' N ' ' A' ' 14' ' ' LYS . 3.9 pp -58.91 -40.02 83.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.23 0.456 . . . . 2.27 112.23 -178.359 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.974 ' N ' HD12 ' A' ' 13' ' ' LEU . 62.7 pttt -82.99 35.62 0.48 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.686 -0.406 . . . . 3.8199999999999998 112.002 -179.383 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 19.6 pt20 -167.74 -54.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.411 -0.359 . . . . 3.98 110.648 178.765 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.74 HD12 ' SD ' ' A' ' 19' ' ' MET . 60.9 tp -48.25 -51.93 23.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 4.0999999999999996 110.053 179.661 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -49.54 -39.23 33.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 6.3200000000000003 109.863 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -72.74 -47.67 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.52 -0.764 . . . . 3.3799999999999999 110.877 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.74 ' SD ' HD12 ' A' ' 16' ' ' LEU . 8.1 ptm -55.32 -27.8 49.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.205 -0.452 . . . . 4.3200000000000003 110.172 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -48.35 -42.36 31.24 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.44 -0.948 . . . . 7.0700000000000003 108.44 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -89.59 -54.7 3.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.202 -0.908 . . . . 5.0199999999999996 109.023 178.129 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.651 HD12 HD22 ' A' ' 25' ' ' LEU . 2.9 mm? -79.07 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.397 -0.82 . . . . 7.0 110.199 178.876 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -55.26 -31.72 61.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 6.8799999999999999 110.553 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.0 mtt85 -155.23 -47.74 0.08 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.216 -0.902 . . . . 10.630000000000001 109.88 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.651 HD22 HD12 ' A' ' 22' ' ' LEU . 33.6 tp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 117.922 -1.037 . . . . 10.67 110.373 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.6 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 2.7 p-80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.091 0.472 . . . . 10.210000000000001 110.814 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.33 -39.7 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 7.1399999999999997 110.773 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.901 ' O ' HG22 ' A' ' 6' ' ' VAL . 63.9 t0 -60.81 129.84 43.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.838 -0.619 . . . . 5.7800000000000002 110.872 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 4' ' ' LYS . 9.7 mtmp? -58.78 -29.2 66.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 6.3600000000000003 110.96 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' ALA . 59.7 mtpt -61.41 -23.17 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.85 -0.613 . . . . 5.2300000000000004 110.936 -179.285 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 3' ' ' ASP . 5.4 m -72.96 35.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 3.2599999999999998 110.731 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -169.47 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.8400000000000001 111.179 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 9' ' ' LYS . 50.4 p-10 -51.98 -41.34 62.08 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.733 0.302 . . . . 2.8500000000000001 110.626 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HD3' HD11 ' A' ' 12' ' ' LEU . 4.0 tppp? -65.72 -46.67 78.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.227 0.536 . . . . 4.0099999999999998 109.689 179.372 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.39 -41.01 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 1.71 109.881 179.185 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.1 tp -62.2 -58.19 8.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.546 -0.752 . . . . 2.6899999999999999 110.475 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.5 pp -57.31 -38.13 73.55 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.787 -0.449 . . . . 2.77 109.787 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.708 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.7 mt -61.68 -35.08 76.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.105 0.479 . . . . 2.27 110.245 178.28 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 17' ' ' ARG . 57.1 tttm -73.5 -54.4 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 3.8199999999999998 110.623 179.84 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 3.6 pt20 -72.54 -9.51 58.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.596 . . . . 3.98 110.722 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.1 tp -42.85 -49.89 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 4.0999999999999996 110.649 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 14' ' ' LYS . 5.5 ptp85 -51.85 -40.01 59.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.658 -0.497 . . . . 6.3200000000000003 109.658 179.063 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLN . 57.5 mt -68.38 -43.2 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 3.3799999999999999 109.456 178.391 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -55.55 -34.43 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.448 0.642 . . . . 4.3200000000000003 109.504 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.57 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 5.6 mmp_? -106.56 32.48 4.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.392 -0.822 . . . . 7.0700000000000003 110.266 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.937 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.6 pp -55.1 -39.32 69.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 5.0199999999999996 109.863 179.175 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.937 ' N ' HD12 ' A' ' 21' ' ' LEU . 50.6 mt -166.9 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.053 -0.976 . . . . 7.0 109.082 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -175.75 133.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.884 -1.053 . . . . 6.8799999999999999 109.982 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 30.4 tpt85 -174.56 42.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.026 0.441 . . . . 10.630000000000001 110.824 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 25' ' ' LEU . 3.8 tt . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.963 -1.018 . . . . 10.67 109.914 179.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 84.2 t60 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.563 0.22 . . . . 10.210000000000001 110.953 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 36.0 m -70.53 119.77 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 7.1399999999999997 111.944 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.689 ' N ' ' HB2' ' A' ' 7' ' ' ALA . 2.4 p30 179.44 158.44 0.64 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.616 -0.72 . . . . 5.7800000000000002 109.356 179.176 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' CG ' ' H ' ' A' ' 5' ' ' LYS . 65.8 tttt 57.49 -134.52 1.16 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.745 -0.465 . . . . 6.3600000000000003 109.745 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -63.22 -42.22 99.24 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.582 -0.525 . . . . 5.2300000000000004 109.582 179.11 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 6' ' ' VAL . 60.2 t -75.43 55.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 121.882 0.848 . . . . 3.2599999999999998 109.965 178.812 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.689 ' HB2' ' N ' ' A' ' 3' ' ' ASP . . . -175.19 -45.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 107.128 -1.434 . . . . 1.8400000000000001 107.128 -179.751 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 10' ' ' VAL . 64.1 t0 -71.58 -56.1 6.51 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 107.367 -1.346 . . . . 2.8500000000000001 107.367 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CE ' HD21 ' A' ' 12' ' ' LEU . 2.4 tpmt? -79.81 41.53 0.5 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.065 -0.97 . . . . 4.0099999999999998 108.977 177.093 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' A' ' 8' ' ' ASP . 93.2 t -150.03 -51.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.288 -0.869 . . . . 1.71 109.509 -179.478 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.634 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.3 tt -54.76 -43.99 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.665 -0.698 . . . . 2.6899999999999999 109.235 178.752 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.6 pp -64.59 -29.42 70.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 2.77 111.478 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 12' ' ' LEU . 91.5 mt -59.11 -44.06 91.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.241 0.544 . . . . 2.27 109.911 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 16' ' ' LEU . 33.8 mmtp -89.31 -52.5 5.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 3.8199999999999998 110.439 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 9.7 mm100 61.95 -7.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.679 -0.691 . . . . 3.98 112.027 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 16' ' ' LEU . 3.1 tm? -46.07 -44.1 15.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.409 . . . . 4.0999999999999996 110.776 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -52.42 -35.7 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 6.3200000000000003 110.816 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.525 ' HA ' HD23 ' A' ' 21' ' ' LEU . 54.8 mt -92.88 -32.93 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.763 -0.653 . . . . 3.3799999999999999 110.935 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 tpt -70.9 34.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 4.3200000000000003 111.237 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' ILE . 38.3 ptt180 -139.65 -24.55 0.85 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 7.0700000000000003 110.478 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -63.98 -30.43 71.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 5.0199999999999996 110.404 178.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.4 pt? -147.75 47.04 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.621 . . . . 7.0 110.558 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m -162.91 98.17 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.548 -0.751 . . . . 6.8799999999999999 110.379 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HG3' HH11 ' A' ' 24' ' ' ARG . 5.4 ptm180 -73.55 -43.75 59.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 10.630000000000001 109.939 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp . . . . . 0 C--O 1.255 1.37 0 CA-C-O 117.967 -1.016 . . . . 10.67 111.193 179.101 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.527 ' ND1' HG23 ' A' ' 2' ' ' VAL . 52.8 t-80 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.05 -0.352 . . . . 10.210000000000001 110.05 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 1.022 HG22 HG21 ' A' ' 6' ' ' VAL . 60.1 t 69.43 133.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 O-C-N 123.503 0.502 . . . . 7.1399999999999997 110.738 -179.293 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -157.1 -55.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.029 -0.532 . . . . 5.7800000000000002 110.333 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -156.41 136.13 12.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 6.3600000000000003 110.272 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? 54.03 41.46 32.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.224 0.535 . . . . 5.2300000000000004 109.796 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.022 HG21 HG22 ' A' ' 2' ' ' VAL . 11.7 p -71.86 52.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.267 -0.878 . . . . 3.2599999999999998 112.09 -179.257 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.2 -60.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.319 -0.623 . . . . 1.8400000000000001 109.319 179.155 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.36 -51.62 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.363 0.601 . . . . 2.8500000000000001 109.756 178.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -58.17 -31.3 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.506 -0.77 . . . . 4.0099999999999998 111.108 179.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -57.16 -43.61 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.461 . . . . 1.71 109.997 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.583 HD23 ' NE2' ' A' ' 15' ' ' GLN . 5.5 mp -63.02 -38.73 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.484 0.659 . . . . 2.6899999999999999 109.787 179.03 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.545 ' HA ' HD21 ' A' ' 16' ' ' LEU . 74.6 mt -60.42 -19.32 55.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 2.77 110.916 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.73 -25.02 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 2.27 111.909 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 2.4 tpmt? -165.81 -34.61 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.746 0.647 . . . . 3.8199999999999998 112.746 -178.87 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.583 ' NE2' HD23 ' A' ' 11' ' ' LEU . 37.9 tt0 -40.12 -26.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.156 0.428 . . . . 3.98 112.156 -178.546 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 12' ' ' LEU . 3.7 mm? -47.18 -42.86 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.094 0.473 . . . . 4.0999999999999996 110.437 179.518 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -64.56 -40.87 96.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.661 -0.496 . . . . 6.3200000000000003 109.661 179.368 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -57.47 -52.35 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 3.3799999999999999 110.784 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 19.1 ptp -56.83 -41.06 77.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.421 . . . . 4.3200000000000003 110.157 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 22' ' ' LEU . 44.8 mtp85 -60.81 -54.97 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 7.0700000000000003 109.891 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 21' ' ' LEU . 6.5 mp -79.44 33.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.259 0.552 . . . . 5.0199999999999996 110.088 178.362 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' ARG . 25.5 tp -166.84 48.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 7.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 25' ' ' LEU . 2.2 p -60.18 -42.74 95.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.664 -0.698 . . . . 6.8799999999999999 109.513 179.06 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 71.12 -39.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.177 -0.919 . . . . 10.630000000000001 111.018 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 23' ' ' THR . 95.6 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.746 -1.121 . . . . 10.67 110.593 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.141 0.496 . . . . 3.2599999999999998 111.841 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.97 -43.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 1.8400000000000001 110.491 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -44.47 -46.89 9.9 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.146 -0.479 . . . . 2.8500000000000001 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 87.8 tttt -49.7 -42.1 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.342 0.591 . . . . 4.0099999999999998 110.132 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.8 -42.52 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.012 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.99 -50.49 73.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.771 -0.65 . . . . 2.6899999999999999 110.827 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.6 pp -64.69 -37.1 86.44 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.784 -0.366 . . . . 2.77 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 12' ' ' LEU . 67.2 mt -66.85 -45.83 76.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 2.27 111.202 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -77.22 -53.47 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 3.8199999999999998 111.004 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 16' ' ' LEU . 22.5 mt-30 -65.95 -20.27 66.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 3.98 111.226 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 15' ' ' GLN . 58.3 tp -11.74 -65.46 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.208 0.603 . . . . 4.0999999999999996 112.533 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 56.4 mtp85 -57.99 -60.5 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.202 0.525 . . . . 6.3200000000000003 110.176 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' GLN . 67.3 mt -47.95 -38.18 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 3.3799999999999999 110.178 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.31 -56.61 13.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 4.3200000000000003 111.661 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' CD ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -60.49 -37.46 81.14 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.408 -0.517 . . . . 7.0700000000000003 110.3 -179.381 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD12 ' CD ' ' A' ' 20' ' ' ARG . 7.1 mp -65.08 -48.86 72.25 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.915 -0.402 . . . . 5.0199999999999996 109.915 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.7 tp -62.67 -62.66 1.58 Allowed 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.995 -0.548 . . . . 7.0 110.011 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.53 -0.759 . . . . 6.8799999999999999 109.175 178.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.7 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.441 0.638 . . . . 3.2599999999999998 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.6 -45.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.35 -0.841 . . . . 1.8400000000000001 109.46 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.03 -50.86 34.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 2.8500000000000001 110.226 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -64.63 -43.63 93.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.251 0.548 . . . . 4.0099999999999998 109.562 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.4 -41.41 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 1.71 109.651 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.73 -46.56 81.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.881 -0.785 . . . . 2.6899999999999999 108.881 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' LEU . 87.7 mt -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 2.77 109.293 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 2.27 110.332 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.19 -46.69 79.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.456 0.646 . . . . 3.8199999999999998 109.564 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' ILE . 26.1 mt-30 -69.31 -21.6 63.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.027 -0.988 . . . . 3.98 110.638 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 16' ' ' LEU . 6.3 tt -35.65 -54.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 4.0999999999999996 111.989 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' O ' ' HD2' ' A' ' 20' ' ' ARG . 37.9 ptt85 -58.77 -33.55 70.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.314 . . . . 6.3200000000000003 111.58 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 59.8 mt -85.21 -54.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.27 0.47 . . . . 3.3799999999999999 112.27 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.462 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 27.0 ptm -41.92 -34.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.05 0.759 . . . . 4.3200000000000003 113.05 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -46.55 -35.44 5.79 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.264 -0.574 . . . . 7.0700000000000003 110.382 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.7 pp -56.64 -37.39 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 5.0199999999999996 110.404 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.751 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.81 -40.95 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 7.0 109.716 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.258 0.552 . . . . 6.8799999999999999 110.207 178.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.404 0.621 . . . . 3.2599999999999998 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 176.57 -47.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 1.8400000000000001 109.458 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.79 -45.17 14.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.711 -0.677 . . . . 2.8500000000000001 110.345 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -48.82 -40.45 29.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 4.0099999999999998 110.196 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.3 -45.71 34.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 1.71 109.486 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.31 -38.01 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.267 -0.879 . . . . 2.6899999999999999 110.44 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 97.8 mt -45.12 -47.01 12.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 2.77 110.155 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -47.19 -42.24 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 2.27 110.278 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -76.75 -42.93 39.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 3.8199999999999998 109.699 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -53.56 -29.0 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 3.98 109.753 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 93.7 mt -55.59 -41.74 73.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 4.0999999999999996 109.872 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HG3' HH11 ' A' ' 17' ' ' ARG . 19.5 mmt85 -68.99 -47.71 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.776 -0.647 . . . . 6.3200000000000003 110.069 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' A' ' 20' ' ' ARG . 51.4 mm -60.53 -40.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 3.3799999999999999 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.13 42.8 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.938 -0.574 . . . . 4.3200000000000003 111.172 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG3' ' A' ' 20' ' ' ARG . 34.5 ttm-85 -175.96 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.985 -0.746 . . . . 7.0700000000000003 108.985 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.15 43.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 5.0199999999999996 110.083 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.8 tp 178.95 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 7.0 110.618 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 112.529 0.566 . . . . 6.8799999999999999 112.529 -179.456 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.542 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.1 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.441 0.638 . . . . 3.2599999999999998 111.214 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' ' HB ' ' A' ' 10' ' ' VAL . . . -161.84 -54.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.05 -0.722 . . . . 1.8400000000000001 109.05 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 33.3 t70 -50.79 -44.75 58.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.438 -0.801 . . . . 2.8500000000000001 109.147 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -57.64 -37.77 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 4.0099999999999998 109.412 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.61 HG12 ' NZ ' ' A' ' 14' ' ' LYS . 33.2 t -54.75 -37.61 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 109.163 -0.68 . . . . 1.71 109.163 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.645 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.8 tm? -63.79 -43.01 97.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.42 -0.956 . . . . 2.6899999999999999 108.42 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 89.7 mt -61.53 -36.95 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.658 -0.701 . . . . 2.77 110.46 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.95 -38.73 70.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.253 0.549 . . . . 2.27 109.816 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.61 ' NZ ' HG12 ' A' ' 10' ' ' VAL . 58.0 mttp -84.39 -56.22 3.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 3.8199999999999998 111.057 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 43.9 mm-40 51.31 18.25 0.6 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.114 -0.494 . . . . 3.98 111.276 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.6 tt -63.72 -47.65 80.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.16 -0.473 . . . . 4.0999999999999996 109.8 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.409 ' NE ' HD21 ' A' ' 11' ' ' LEU . 14.4 ptp180 -54.66 -44.52 73.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.615 -0.513 . . . . 6.3200000000000003 109.615 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 20' ' ' ARG . 41.4 mm -61.73 -48.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.018 -0.734 . . . . 3.3799999999999999 109.018 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.3 mmt -76.3 40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 4.3200000000000003 110.109 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' C ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -154.24 -52.36 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.259 -1.015 . . . . 7.0700000000000003 108.259 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 17' ' ' ARG . 94.5 mt -61.63 -38.64 88.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 107.938 -1.134 . . . . 5.0199999999999996 107.938 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.633 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.9 tm? -108.62 121.77 45.7 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.638 -1.165 . . . . 7.0 108.461 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.045 0.45 . . . . 6.8799999999999999 110.442 -178.807 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 94.0 t . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 114.21 1.189 . . . . 3.2599999999999998 114.21 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 70.81 -50.38 0.68 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.826 1.047 . . . . 1.8400000000000001 113.826 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' ALA . 34.1 t70 -39.24 -38.0 0.47 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.577 -0.527 . . . . 2.8500000000000001 109.577 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -61.72 -53.32 57.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.735 -0.666 . . . . 4.0099999999999998 110.783 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' ALA . 72.9 t -56.99 -47.25 83.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.483 0.659 . . . . 1.71 109.432 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 39.4 tp -60.37 -37.93 82.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.008 -0.997 . . . . 2.6899999999999999 109.889 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.49 -62.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.064 0.459 . . . . 2.77 110.993 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -57.4 -41.55 80.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 2.27 111.512 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' HD12 ' A' ' 13' ' ' LEU . 28.5 mtpp -72.68 -49.27 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.73 -0.388 . . . . 3.8199999999999998 110.949 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.8 tt0 -50.85 -39.37 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.92 -0.4 . . . . 3.98 109.92 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.9 -39.31 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.354 -0.61 . . . . 4.0999999999999996 109.354 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.08 -44.36 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.329 -0.851 . . . . 6.3200000000000003 110.14 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.66 -50.32 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 3.3799999999999999 110.161 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 20.5 mmt -56.57 -42.61 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.234 0.54 . . . . 4.3200000000000003 109.682 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -99.09 32.61 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 7.0700000000000003 110.309 178.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.861 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.2 pp -53.68 -33.89 56.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.293 0.568 . . . . 5.0199999999999996 110.224 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.861 ' N ' HD12 ' A' ' 21' ' ' LEU . 74.2 mt -159.24 -57.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.032 -0.985 . . . . 7.0 108.799 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 6.8799999999999999 111.672 178.737 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.525 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.0 p . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 121.507 0.67 . . . . 3.2599999999999998 110.581 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.77 -47.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.305 -0.861 . . . . 1.8400000000000001 108.94 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 22.7 t70 -55.43 -45.34 76.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.363 -0.835 . . . . 2.8500000000000001 109.463 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HG2' HD23 ' A' ' 13' ' ' LEU . 87.2 tttt -76.72 -36.54 57.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.74 . . . . 4.0099999999999998 109.884 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.432 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 59.2 t -55.97 -44.31 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.603 -0.726 . . . . 1.71 111.777 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.9 pp -67.02 -38.29 85.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.936 0.347 . . . . 2.6899999999999999 111.936 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.972 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.8 pp -78.66 -41.17 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 2.77 111.739 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.972 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.4 pp -59.54 -31.31 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.99 -0.444 . . . . 2.27 110.962 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.822 ' N ' HD12 ' A' ' 13' ' ' LEU . 60.3 pttt -79.9 14.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.948 -0.301 . . . . 3.8199999999999998 111.559 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 26.4 pt20 -162.66 -59.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.097 -0.241 . . . . 3.98 111.31 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.2 tp -57.62 -47.37 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.498 . . . . 4.0999999999999996 110.0 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -65.59 -47.84 74.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 6.3200000000000003 109.857 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.4 mt -51.66 -41.45 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 3.3799999999999999 110.141 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.6 ttm -41.24 -32.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 4.3200000000000003 111.213 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HA ' HG22 ' A' ' 23' ' ' THR . 38.4 ptt180 -45.72 -44.76 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.421 . . . . 7.0700000000000003 111.261 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 21' ' ' LEU . 2.6 pp -64.74 -32.86 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 5.0199999999999996 110.946 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 58.8 tp -77.75 -51.41 10.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.164 -0.471 . . . . 7.0 110.992 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 20' ' ' ARG . 15.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 6.8799999999999999 110.902 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 6' ' ' VAL . 91.2 t . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 122.252 1.025 . . . . 3.2599999999999998 109.621 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.68 -43.68 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.214 -1.357 . . . . 1.8400000000000001 107.404 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.52 -50.93 32.59 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.942 -1.027 . . . . 2.8500000000000001 109.509 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 4.3 tmmm? -55.62 -48.78 74.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.621 -0.718 . . . . 4.0099999999999998 110.257 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.7 p -66.36 -48.32 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 1.71 110.601 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HG13 ' A' ' 10' ' ' VAL . 89.5 mt -75.06 39.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 2.6899999999999999 111.803 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -161.34 -49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.615 . . . . 2.77 109.338 178.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -82.02 -55.03 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.214 -0.662 . . . . 2.27 109.214 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.19 -43.57 73.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.143 -0.688 . . . . 3.8199999999999998 109.143 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.11 -54.33 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 3.98 110.808 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 95.5 mt -59.2 -43.28 92.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.207 0.527 . . . . 4.0999999999999996 109.766 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -57.01 -43.93 82.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.754 -0.657 . . . . 6.3200000000000003 109.606 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.12 -39.85 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 3.3799999999999999 110.099 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.672 ' SD ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.46 -39.77 70.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 4.3200000000000003 109.902 179.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HG2' ' SD ' ' A' ' 19' ' ' MET . 9.9 mmp_? -132.05 55.68 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.531 0.681 . . . . 7.0700000000000003 110.883 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.0 pp -74.78 45.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.156 -0.929 . . . . 5.0199999999999996 110.763 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt 53.01 28.54 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.449 0.642 . . . . 7.0 110.218 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 23' ' ' THR . 12.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 114.838 -1.073 . . . . 6.8799999999999999 111.451 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.9 p . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 121.142 0.496 . . . . 3.2599999999999998 111.357 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.59 29.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.435 -0.95 . . . . 1.8400000000000001 108.435 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -155.98 -53.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.763 -1.562 . . . . 2.8500000000000001 108.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -65.16 -45.84 83.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 4.0099999999999998 110.125 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -50.11 -49.58 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.331 -0.618 . . . . 1.71 109.331 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.68 -41.64 87.78 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.472 -0.786 . . . . 2.6899999999999999 109.438 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -50.12 -48.59 53.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 2.77 109.935 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -40.68 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.538 . . . . 2.27 110.055 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.31 -42.42 99.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.414 0.626 . . . . 3.8199999999999998 109.494 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ILE . 26.3 mt-30 -61.63 -33.12 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.232 -0.895 . . . . 3.98 110.605 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.4 tm? -40.05 -49.04 2.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.999 0.428 . . . . 4.0999999999999996 110.057 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 1.7 tmm_? -49.93 -47.51 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.334 -0.617 . . . . 6.3200000000000003 109.334 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLN . 54.2 mt -64.82 -42.35 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.478 -0.783 . . . . 3.3799999999999999 110.177 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.581 ' HB3' ' NH2' ' A' ' 20' ' ' ARG . 7.3 mmt -54.78 -36.92 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 4.3200000000000003 109.276 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.581 ' NH2' ' HB3' ' A' ' 19' ' ' MET . 14.8 mmp_? -94.85 31.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.562 -0.745 . . . . 7.0700000000000003 109.87 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.891 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.9 pp -52.75 -38.02 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 5.0199999999999996 110.693 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.891 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.3 tm? -174.4 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.97 -0.559 . . . . 7.0 110.11 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 6.8799999999999999 110.381 179.296 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 6' ' ' VAL . 28.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.914 0.864 . . . . 3.2599999999999998 109.861 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -170.35 -39.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.339 -1.3 . . . . 1.8400000000000001 108.246 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -59.29 -53.26 60.29 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.285 -0.871 . . . . 2.8500000000000001 109.472 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.07 -49.54 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.714 . . . . 4.0099999999999998 110.027 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 t -52.3 -50.9 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.9 -0.591 . . . . 1.71 109.787 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -55.95 -51.85 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 2.6899999999999999 110.767 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.2 mt -56.39 -43.36 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 2.77 110.379 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 15' ' ' GLN . 94.8 mt -62.82 -51.83 65.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.948 -0.569 . . . . 2.27 110.115 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 10.6 ptmm? -75.89 31.93 0.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.907 0.384 . . . . 3.8199999999999998 110.907 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 13' ' ' LEU . 4.8 tp60 -140.93 -57.34 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.084 -0.709 . . . . 3.98 109.084 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.2 tt -53.24 -47.19 69.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.013 -0.736 . . . . 4.0999999999999996 109.013 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -55.35 -37.75 67.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.645 -0.707 . . . . 6.3200000000000003 109.876 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.21 -47.95 89.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 109.863 -0.421 . . . . 3.3799999999999999 109.863 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.24 -39.88 84.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.484 0.659 . . . . 4.3200000000000003 109.845 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -67.3 -49.43 64.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.063 -0.971 . . . . 7.0700000000000003 112.334 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.14 -40.8 36.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.421 0.526 . . . . 5.0199999999999996 112.421 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 22' ' ' LEU . 2.0 tm? -48.58 -52.21 23.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.623 -0.262 . . . . 7.0 111.252 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 HD12 ' A' ' 22' ' ' LEU . 14.1 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 6.8799999999999999 111.573 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 6' ' ' VAL . 11.4 p . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 121.562 0.696 . . . . 3.2599999999999998 109.443 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 72.02 -60.89 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.972 -1.013 . . . . 1.8400000000000001 110.527 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 55.8 m-20 -48.81 -46.21 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.365 0.603 . . . . 2.8500000000000001 109.729 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 76.2 tttt -52.05 -44.0 64.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 4.0099999999999998 110.163 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.53 -42.01 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.424 -0.584 . . . . 1.71 109.424 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 45.9 tp -57.41 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.609 -0.723 . . . . 2.6899999999999999 109.763 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.78 -41.64 97.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.502 . . . . 2.77 109.778 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 95.0 mt -61.3 -38.97 88.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 2.27 111.679 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.68 7.17 4.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.676 -0.409 . . . . 3.8199999999999998 111.652 -179.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 6.4 pt20 -162.19 43.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.243 0.544 . . . . 3.98 110.661 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.09 -52.82 53.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 4.0999999999999996 110.166 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 53.3 ttm-85 -63.43 -43.28 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.781 -0.645 . . . . 6.3200000000000003 109.536 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 15' ' ' GLN . 72.0 mt -58.8 -42.23 84.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 3.3799999999999999 110.191 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.8 tpt -61.79 -55.29 31.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.978 -0.555 . . . . 4.3200000000000003 111.11 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.606 ' C ' ' H ' ' A' ' 22' ' ' LEU . 17.0 ptp180 -56.08 -44.85 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.573 -0.899 . . . . 7.0700000000000003 108.573 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.97 28.4 0.06 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.57 0.7 . . . . 5.0199999999999996 109.627 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 20' ' ' ARG . 29.0 tp -157.31 38.7 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.161 -1.051 . . . . 7.0 108.161 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 114.605 -1.179 . . . . 6.8799999999999999 110.089 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.478 ' O ' HG22 ' A' ' 6' ' ' VAL . 12.8 p . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 108.517 -0.919 . . . . 3.2599999999999998 108.517 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.94 -53.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.509 -1.223 . . . . 1.8400000000000001 109.959 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.6 p-10 -61.33 -43.92 98.06 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.61 -0.885 . . . . 2.8500000000000001 108.61 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 6.4 mtpm? -52.01 -45.8 64.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 4.0099999999999998 109.093 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -54.11 -44.21 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.563 -0.744 . . . . 1.71 109.248 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD1' HG21 ' A' ' 18' ' ' ILE . 50.2 tp -58.11 -43.73 87.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.226 -0.657 . . . . 2.6899999999999999 109.226 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' NE2' ' A' ' 15' ' ' GLN . 84.9 mt -57.3 -37.85 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 2.77 110.476 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.1 mt -50.54 -37.9 41.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 2.27 111.116 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -138.52 32.74 2.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.084 0.468 . . . . 3.8199999999999998 110.975 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.8 pt20 -60.28 -22.54 63.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 3.98 110.21 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.8 tm? -46.22 -60.47 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 4.0999999999999996 111.128 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.617 ' HG2' HD11 ' A' ' 21' ' ' LEU . 44.2 ttt85 -81.07 -51.76 8.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 6.3200000000000003 110.941 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.59 ' HA ' HD12 ' A' ' 21' ' ' LEU . 60.6 mt -47.83 -43.04 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.501 -0.318 . . . . 3.3799999999999999 111.314 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.53 ' O ' HD13 ' A' ' 22' ' ' LEU . 17.3 tpt -53.97 -37.27 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 4.3200000000000003 110.897 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 20.4 ptp180 -97.36 35.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 7.0700000000000003 110.57 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' A' ' 17' ' ' ARG . 96.4 mt -135.4 23.28 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 5.0199999999999996 110.796 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 19' ' ' MET . 6.4 mp -93.61 -49.63 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.636 -0.711 . . . . 7.0 109.199 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.335 -0.848 . . . . 6.8799999999999999 110.754 179.087 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 6' ' ' VAL . 9.4 p . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 121.495 0.664 . . . . 3.2599999999999998 110.987 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 168.13 -52.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.222 -0.899 . . . . 1.8400000000000001 109.677 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -52.63 -40.61 62.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 2.8500000000000001 110.576 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -52.9 -42.04 64.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 4.0099999999999998 110.619 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -49.5 -50.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.387 0.613 . . . . 1.71 109.666 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.717 HD13 HE22 ' A' ' 15' ' ' GLN . 78.9 mt -67.96 -38.44 82.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.865 . . . . 2.6899999999999999 109.431 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.48 -36.43 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.446 -0.797 . . . . 2.77 109.9 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -58.84 -30.98 68.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 2.27 110.18 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG2' HD11 ' A' ' 18' ' ' ILE . 40.4 ttmt -167.68 94.41 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.198 0.523 . . . . 3.8199999999999998 111.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.717 HE22 HD13 ' A' ' 11' ' ' LEU . 49.0 tt0 -168.35 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.863 -0.791 . . . . 3.98 108.863 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.4 mm? -74.65 -48.27 27.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.187 -0.671 . . . . 4.0999999999999996 109.187 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -33.14 26.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.639 -0.71 . . . . 6.3200000000000003 109.843 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' HG2' ' A' ' 14' ' ' LYS . 60.0 mt -56.48 -43.0 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.606 -0.724 . . . . 3.3799999999999999 109.171 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.91 47.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.424 -0.807 . . . . 4.3200000000000003 109.926 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -165.77 -45.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.935 -0.575 . . . . 7.0700000000000003 110.421 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.2 pp 35.82 46.62 0.34 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.276 0.56 . . . . 5.0199999999999996 110.089 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.4 tm? -18.02 117.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 114.788 -1.096 . . . . 7.0 111.696 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.516 ' N ' HD13 ' A' ' 22' ' ' LEU . 10.4 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 114.825 -1.08 . . . . 6.8799999999999999 109.658 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 6' ' ' VAL . 91.5 t . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.378 0.608 . . . . 3.2599999999999998 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 173.92 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.352 -0.981 . . . . 1.8400000000000001 108.352 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 19.4 t70 -58.83 -50.04 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.936 -1.029 . . . . 2.8500000000000001 109.779 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -60.87 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.423 0.63 . . . . 4.0099999999999998 109.516 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.0 -34.18 48.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 1.71 110.331 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 56.8 tp -46.03 -36.29 5.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.236 -0.438 . . . . 2.6899999999999999 109.913 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.516 -0.55 . . . . 2.77 109.516 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.83 -44.24 97.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.572 -0.74 . . . . 2.27 109.507 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 20.2 tptm -60.79 -48.28 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.64 -0.709 . . . . 3.8199999999999998 109.959 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.16 -47.01 82.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 3.98 109.591 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.4 tt -49.77 -49.25 49.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.253 0.549 . . . . 4.0999999999999996 109.521 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 55.7 ttm-85 -52.26 -32.91 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 6.3200000000000003 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 21' ' ' LEU . 66.6 mt -85.22 -30.76 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.319 -0.855 . . . . 3.3799999999999999 110.911 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 23' ' ' THR . 68.1 mtt -56.54 -51.67 67.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 4.3200000000000003 111.577 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 40.2 ptt180 -41.81 -27.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.564 0.221 . . . . 7.0700000000000003 111.528 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 18' ' ' ILE . 6.7 mp -70.81 69.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 5.0199999999999996 111.784 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp 67.01 10.9 8.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.413 0.894 . . . . 7.0 113.413 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' MET . 13.5 m . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 6.8799999999999999 110.136 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 6' ' ' VAL . 12.4 p . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 121.397 0.618 . . . . 3.2599999999999998 111.669 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 172.95 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.479 -0.782 . . . . 1.8400000000000001 109.429 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.69 -50.34 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 2.8500000000000001 110.746 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -57.9 -44.08 86.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 4.0099999999999998 110.988 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.47 -48.61 87.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.114 -0.699 . . . . 1.71 109.114 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 ' HE2' ' A' ' 14' ' ' LYS . 46.4 tp -52.94 -41.76 64.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.143 -0.935 . . . . 2.6899999999999999 108.69 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.0 tp -60.25 -48.11 83.15 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.012 -0.995 . . . . 2.77 109.952 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 82.1 mt -52.52 -56.28 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 2.27 111.388 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HE2' HD12 ' A' ' 11' ' ' LEU . 64.8 pttt -66.68 -44.12 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.83 -0.348 . . . . 3.8199999999999998 110.79 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -50.35 -48.9 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 3.98 110.018 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 12' ' ' LEU . 9.2 mp -60.37 -43.27 96.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.87 -0.605 . . . . 4.0999999999999996 109.89 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 99.8 mtt180 -56.13 -45.28 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.265 -0.643 . . . . 6.3200000000000003 109.265 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.453 ' HA ' HD11 ' A' ' 21' ' ' LEU . 87.1 mt -58.55 -40.62 79.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.477 -0.783 . . . . 3.3799999999999999 110.445 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -53.06 -37.11 61.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.438 -0.578 . . . . 4.3200000000000003 109.438 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.88 29.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.479 -0.782 . . . . 7.0700000000000003 111.343 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.8 pp -168.88 33.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.121 0.486 . . . . 5.0199999999999996 111.085 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 tp 179.06 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.68 -0.691 . . . . 7.0 110.341 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 23' ' ' THR . 7.2 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 6.8799999999999999 111.343 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 6' ' ' VAL . 6.5 p . . . . . 0 C--O 1.226 -0.171 0 CA-C-O 121.079 0.466 . . . . 3.2599999999999998 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 69.88 -57.89 0.54 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.914 -0.585 . . . . 1.8400000000000001 111.313 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.729 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -44.05 -34.06 1.64 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.562 0.696 . . . . 2.8500000000000001 111.069 179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 18.5 ptpt -50.04 -40.99 46.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.31 -0.859 . . . . 4.0099999999999998 111.477 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.494 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 83.8 t -66.93 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 113.21 0.818 . . . . 1.71 113.21 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 8' ' ' ASP . 1.7 pt? -60.44 -36.82 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.825 -0.75 . . . . 2.6899999999999999 111.069 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 8' ' ' ASP . 6.8 mp -49.68 -39.78 37.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 2.77 111.233 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -49.18 -29.92 6.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 2.27 111.831 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -111.83 -36.04 5.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 3.8199999999999998 110.724 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.562 ' NE2' HD12 ' A' ' 12' ' ' LEU . 8.4 tt0 -45.6 -44.7 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.594 . . . . 3.98 111.185 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.16 -39.13 27.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.252 0.549 . . . . 4.0999999999999996 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -76.04 -43.5 43.63 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 6.3200000000000003 109.594 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.639 HG22 HD23 ' A' ' 21' ' ' LEU . 57.5 mt -55.95 -31.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.677 -0.692 . . . . 3.3799999999999999 109.923 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.442 ' HG2' HH21 ' A' ' 20' ' ' ARG . 23.5 ttt -53.74 -19.21 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 4.3200000000000003 110.182 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.583 ' HE ' ' N ' ' A' ' 20' ' ' ARG . 1.7 mmp_? -81.35 6.41 14.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 7.0700000000000003 110.423 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.6 pp -60.25 -30.23 69.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.521 -0.763 . . . . 5.0199999999999996 109.567 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.871 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.2 tm? -169.27 135.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.933 -1.031 . . . . 7.0 108.86 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.662 ' N ' HD13 ' A' ' 22' ' ' LEU . 6.0 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.375 0.607 . . . . 6.8799999999999999 110.551 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 14.8 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 121.367 0.604 . . . . 3.2599999999999998 111.84 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 75.02 -58.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.231 -0.895 . . . . 1.8400000000000001 111.647 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 39.3 m-20 -49.22 -40.97 35.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.408 . . . . 2.8500000000000001 110.435 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -54.24 -41.68 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.517 -0.549 . . . . 4.0099999999999998 109.517 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.83 -44.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.643 -0.873 . . . . 1.71 108.643 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 11' ' ' LEU . 1.7 tt -59.25 -39.51 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.389 -0.823 . . . . 2.6899999999999999 109.199 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.42 -38.96 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.862 -0.608 . . . . 2.77 110.12 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.31 -50.83 68.59 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.692 -0.484 . . . . 2.27 109.692 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 28.2 ttpp -66.14 -41.72 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 3.8199999999999998 109.237 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -56.42 -35.7 68.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.356 -0.838 . . . . 3.98 110.171 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 16' ' ' LEU . 2.9 tm? -47.98 -43.14 29.31 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.154 -0.684 . . . . 4.0999999999999996 109.154 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' LYS . 24.0 ttt180 -60.03 -47.2 86.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 6.3200000000000003 109.522 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.61 -44.88 71.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 3.3799999999999999 109.525 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.09 -43.78 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.531 -0.759 . . . . 4.3200000000000003 110.26 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.726 ' O ' HG23 ' A' ' 23' ' ' THR . 64.9 ttp85 -57.84 -45.93 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 7.0700000000000003 110.211 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.64 -42.09 64.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.88 -0.6 . . . . 5.0199999999999996 110.323 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 tp -75.52 42.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 7.0 111.18 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 20' ' ' ARG . 19.9 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 6.8799999999999999 110.268 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 7.1 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.13 0.49 . . . . 3.2599999999999998 110.551 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 75.5 -47.26 0.59 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.581 -0.736 . . . . 1.8400000000000001 110.48 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' HD13 ' A' ' 12' ' ' LEU . 55.0 m-20 -49.41 -39.97 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 2.8500000000000001 110.241 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -52.64 -49.55 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 4.0099999999999998 110.307 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.12 -45.71 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.771 . . . . 1.71 110.498 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -54.36 -48.74 71.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 2.6899999999999999 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 8' ' ' ASP . 11.1 mp -66.41 -59.95 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 2.77 111.993 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.905 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -50.96 -43.09 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 2.27 110.748 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.905 ' N ' HD12 ' A' ' 13' ' ' LEU . 27.7 ttpp -71.73 -42.45 67.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.333 0.587 . . . . 3.8199999999999998 110.482 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -57.08 -43.27 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 3.98 110.706 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 91.5 mt -44.67 -29.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 4.0999999999999996 111.337 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -104.06 -51.81 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.691 0.282 . . . . 6.3200000000000003 111.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' A' ' 14' ' ' LYS . 31.9 mt -53.77 -30.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 3.3799999999999999 110.978 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.9 ttt -43.57 -31.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 4.3200000000000003 111.134 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 27.3 tpt180 -169.73 38.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 7.0700000000000003 110.417 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.647 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER 32.96 37.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.741 0.781 . . . . 5.0199999999999996 110.88 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.9 tm? 175.88 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.37 -1.344 . . . . 7.0 107.37 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.512 ' O ' HD13 ' A' ' 22' ' ' LEU . 13.2 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 114.677 -1.147 . . . . 6.8799999999999999 112.924 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 6' ' ' VAL . 61.4 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.444 0.64 . . . . 3.2599999999999998 110.701 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.74 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.447 -0.797 . . . . 1.8400000000000001 108.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 11.6 t70 -70.53 -51.22 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.931 -1.031 . . . . 2.8500000000000001 109.584 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.44 -39.5 85.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.938 -0.764 . . . . 4.0099999999999998 108.938 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.32 -56.38 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 114.953 -1.021 . . . . 1.71 111.263 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.779 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.2 pp -58.87 -34.8 72.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.664 -0.414 . . . . 2.6899999999999999 109.949 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.779 ' N ' HD12 ' A' ' 11' ' ' LEU . 4.7 tt -64.07 -59.49 4.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 2.77 111.102 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.894 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -63.43 -38.64 91.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.18 0.514 . . . . 2.27 110.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.894 ' N ' HD12 ' A' ' 13' ' ' LEU . 48.5 tttp -61.98 -50.55 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.775 -0.648 . . . . 3.8199999999999998 109.841 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HA ' HD12 ' A' ' 18' ' ' ILE . 8.3 tt0 -48.96 -45.29 41.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.252 -0.885 . . . . 3.98 110.508 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.67 -49.29 65.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.272 0.558 . . . . 4.0999999999999996 109.564 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG2' HD12 ' A' ' 21' ' ' LEU . 58.3 ttp180 -65.44 -38.51 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.689 -0.687 . . . . 6.3200000000000003 110.364 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 15' ' ' GLN . 85.1 mt -57.26 -46.9 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 3.3799999999999999 110.037 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.1 tpt -69.26 -51.47 37.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 4.3200000000000003 110.27 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -55.13 -35.77 65.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 7.0700000000000003 110.278 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 17' ' ' ARG . 88.7 mt -108.27 31.32 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 5.0199999999999996 110.291 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' THR . 61.4 tp -56.96 -48.21 78.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.338 0.59 . . . . 7.0 109.54 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' LEU . 45.6 p . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.085 -0.961 . . . . 6.8799999999999999 109.621 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.653 ' O ' HG12 ' A' ' 6' ' ' VAL . 79.9 t . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 121.731 0.777 . . . . 3.2599999999999998 109.425 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.84 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.863 -1.062 . . . . 1.8400000000000001 109.39 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.67 -58.29 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.764 . . . . 2.8500000000000001 110.39 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.6 -44.22 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 4.0099999999999998 110.277 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.14 -54.43 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.968 -0.56 . . . . 1.71 110.088 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.09 -37.39 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 2.6899999999999999 109.769 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -53.0 -46.19 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 2.77 109.851 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.25 -27.64 67.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 2.27 110.483 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -72.1 -49.88 32.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 3.8199999999999998 110.298 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' LEU . 20.9 pt20 -73.63 -36.6 65.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.322 -0.853 . . . . 3.98 111.247 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' GLN . 64.9 tp -22.76 -61.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 4.0999999999999996 112.681 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -56.19 -52.02 65.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 6.3200000000000003 111.187 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLN . 52.0 mt -58.89 -41.44 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 3.3799999999999999 109.984 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -52.78 -36.31 57.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.342 -0.614 . . . . 4.3200000000000003 109.342 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' THR . 41.0 ttp180 -65.0 -44.53 88.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.965 -0.754 . . . . 7.0700000000000003 108.965 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.45 -28.79 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 5.0199999999999996 109.763 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.28 -10.29 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.275 -0.875 . . . . 7.0 111.176 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 20' ' ' ARG . 69.6 p . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.832 0.348 . . . . 6.8799999999999999 110.263 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 6' ' ' VAL . 17.8 t . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.799 0.809 . . . . 3.2599999999999998 109.633 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.37 -41.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.706 -1.134 . . . . 1.8400000000000001 108.138 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.82 -44.05 66.4 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 109.168 -0.679 . . . . 2.8500000000000001 109.168 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.7 -17.84 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.377 -0.829 . . . . 4.0099999999999998 110.989 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.25 -51.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 1.71 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' CD ' ' A' ' 15' ' ' GLN . 4.2 mm? -57.19 -50.26 73.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 2.6899999999999999 111.098 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.792 ' HG ' HD22 ' A' ' 16' ' ' LEU . 7.2 mp -53.84 -24.44 15.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.343 0.497 . . . . 2.77 112.343 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -51.7 -20.2 1.97 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.871 0.367 . . . . 2.27 110.763 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB2' HD12 ' A' ' 18' ' ' ILE . 18.9 ptpt -156.3 -44.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 3.8199999999999998 110.601 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' CD ' HD12 ' A' ' 11' ' ' LEU . 36.8 tt0 -73.0 54.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 3.98 111.225 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.792 HD22 ' HG ' ' A' ' 12' ' ' LEU . 61.9 tp -158.11 -72.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.976 -0.75 . . . . 4.0999999999999996 108.976 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.53 -50.16 74.67 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.197 -0.668 . . . . 6.3200000000000003 109.197 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.851 HG22 HG22 ' A' ' 23' ' ' THR . 64.7 mt -49.09 -41.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.261 -0.644 . . . . 3.3799999999999999 109.261 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -66.3 -43.43 86.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.379 -0.828 . . . . 4.3200000000000003 109.784 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 22' ' ' LEU . 41.2 ttt85 -55.08 -42.81 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.462 -0.57 . . . . 7.0700000000000003 109.462 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.4 mm? -79.65 30.03 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 5.0199999999999996 109.903 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' ARG . 28.3 tp 44.9 35.68 1.61 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.831 -0.622 . . . . 7.0 110.602 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.851 HG22 HG22 ' A' ' 18' ' ' ILE . 21.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 6.8799999999999999 110.937 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.648 ' O ' HG22 ' A' ' 6' ' ' VAL . 8.5 p . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 121.513 0.673 . . . . 3.2599999999999998 111.188 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.91 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.596 -0.729 . . . . 1.8400000000000001 109.18 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 10' ' ' VAL . 48.8 m-20 -55.71 -41.74 74.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.312 -0.625 . . . . 2.8500000000000001 109.312 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -70.2 28.12 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.711 -0.677 . . . . 4.0099999999999998 110.778 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 8' ' ' ASP . 54.1 t -150.0 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.758 -1.201 . . . . 1.71 107.758 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.69 ' C ' HD13 ' A' ' 11' ' ' LEU . 1.7 tm? -59.22 -48.09 82.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.77 -1.104 . . . . 2.6899999999999999 109.038 177.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 14' ' ' LYS . 94.3 mt -55.1 -43.54 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.9 -0.778 . . . . 2.77 108.9 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.66 37.2 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.249 -0.887 . . . . 2.27 110.272 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 12' ' ' LEU . 22.7 tptm -160.04 -47.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.538 -0.756 . . . . 3.8199999999999998 109.33 -179.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' MET . 53.6 tt0 -55.87 -35.46 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 3.98 109.55 178.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.7 tt -51.56 -56.0 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 4.0999999999999996 110.296 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 11.5 ptp180 -62.2 -31.06 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.176 0.512 . . . . 6.3200000000000003 109.747 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 79.6 mt -72.93 -27.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 3.3799999999999999 110.115 178.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.466 ' SD ' HD12 ' A' ' 22' ' ' LEU . 16.5 tpt -47.75 -47.19 30.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 4.3200000000000003 111.586 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HD2' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.4 -25.47 35.86 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.476 -0.49 . . . . 7.0700000000000003 111.105 -179.72 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 56.0 tp -68.14 -32.75 73.25 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.093 -0.706 . . . . 5.0199999999999996 109.093 178.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' A' ' 19' ' ' MET . 59.4 mt -74.28 46.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.223 -0.899 . . . . 7.0 110.509 179.465 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 6.8799999999999999 111.261 -179.793 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.458 0.647 . . . . 3.2599999999999998 110.336 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.43 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.05 -0.977 . . . . 1.8400000000000001 109.023 -179.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.61 -45.78 14.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.24 -0.891 . . . . 2.8500000000000001 110.896 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -52.14 -49.92 62.77 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.555 -0.293 . . . . 4.0099999999999998 110.949 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.2 p -54.38 -42.8 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 1.71 110.131 179.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 11' ' ' LEU . 4.9 tt -63.67 -47.9 79.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.695 -0.684 . . . . 2.6899999999999999 109.94 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.11 -47.79 84.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 2.77 111.107 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.93 -47.29 71.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.071 0.462 . . . . 2.27 110.544 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -67.78 -48.39 66.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 3.8199999999999998 109.957 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -53.54 -41.44 66.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.425 -0.807 . . . . 3.98 110.453 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.0 -41.41 34.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 4.0999999999999996 109.837 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -72.16 -42.23 66.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.864 -0.607 . . . . 6.3200000000000003 109.954 179.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 38.5 mm -52.72 -52.55 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.145 -0.687 . . . . 3.3799999999999999 109.145 179.302 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -76.52 40.85 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 4.3200000000000003 110.016 178.07 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -144.86 -58.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 7.0700000000000003 109.459 179.705 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 18' ' ' ILE . 2.6 pt? -68.88 -41.44 78.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.444 -0.947 . . . . 5.0199999999999996 108.444 178.403 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 69.4 mt -87.34 43.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.591 -0.731 . . . . 7.0 109.159 178.011 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.587 -0.733 . . . . 6.8799999999999999 110.873 -178.879 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.46 0.028 0 CA-C-O 120.851 0.358 . . . . 3.2599999999999998 111.296 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.25 -60.1 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.124 -0.695 . . . . 1.8400000000000001 109.124 178.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -69.45 -47.67 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 2.8500000000000001 109.811 178.349 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.9 mtpp -74.6 38.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 4.0099999999999998 111.147 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 8' ' ' ASP . 74.0 t -160.32 -52.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 1.71 109.047 179.105 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -51.32 -46.96 62.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.553 -0.749 . . . . 2.6899999999999999 109.833 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.0 mp -72.4 -41.57 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.797 -0.638 . . . . 2.77 110.695 179.197 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 mt -51.28 -42.3 61.02 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.077 -0.712 . . . . 2.27 109.077 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 16' ' ' LEU . 22.7 tptm -79.72 -62.06 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.493 -0.776 . . . . 3.8199999999999998 109.09 178.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 67.98 -41.13 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.008 0.744 . . . . 3.98 113.008 178.247 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.9 tt -28.34 -62.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 4.0999999999999996 112.539 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -49.13 -43.6 41.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 6.3200000000000003 111.379 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 63.5 mt -70.02 -42.08 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 3.3799999999999999 110.198 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.572 ' CG ' HG22 ' A' ' 23' ' ' THR . 47.3 ttm -48.88 -36.41 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 4.3200000000000003 109.92 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 16.5 mtm105 -57.04 -43.41 81.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.952 -0.567 . . . . 7.0700000000000003 110.186 179.159 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 21' ' ' LEU . 6.4 mp -69.39 -40.18 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.555 -0.748 . . . . 5.0199999999999996 109.802 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -174.65 127.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.315 -0.857 . . . . 7.0 110.186 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.572 HG22 ' CG ' ' A' ' 19' ' ' MET . 64.4 p . . . . . 0 C--N 1.321 -0.644 0 CA-C-O 121.367 0.604 . . . . 6.8799999999999999 110.078 179.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.517 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.8 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.729 0.776 . . . . 3.2599999999999998 109.737 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.718 ' O ' HG12 ' A' ' 10' ' ' VAL . . . -168.89 -39.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.991 -1.004 . . . . 1.8400000000000001 109.728 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -51.06 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 2.8500000000000001 110.267 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -74.52 48.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 4.0099999999999998 111.693 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 7' ' ' ALA . 4.0 p -178.21 -35.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.142 -0.688 . . . . 1.71 109.142 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.618 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.6 tm? -56.29 -46.44 79.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.892 -1.049 . . . . 2.6899999999999999 110.128 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -61.35 -47.51 85.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 2.77 110.799 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.26 -54.26 33.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.12 0.486 . . . . 2.27 109.778 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.42 -40.96 96.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 3.8199999999999998 110.118 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -52.52 -33.78 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.4 -0.818 . . . . 3.98 110.451 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.8 tt -50.34 -49.13 54.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.99 0.424 . . . . 4.0999999999999996 110.485 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -60.69 -51.73 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 6.3200000000000003 110.514 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.7 mt -57.84 -36.15 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.868 -0.605 . . . . 3.3799999999999999 109.838 179.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.2 ttp -66.3 -49.88 65.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 4.3200000000000003 110.322 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -57.92 -40.07 79.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.639 -0.874 . . . . 7.0700000000000003 108.639 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.49 43.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.999 -1.0 . . . . 5.0199999999999996 110.032 179.027 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.5 tp -172.8 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 7.0 109.859 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 6.8799999999999999 111.521 179.392 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 6' ' ' VAL . 14.8 p . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.023 0.44 . . . . 3.2599999999999998 111.297 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 174.87 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.8400000000000001 110.628 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -43.15 -45.97 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.8500000000000001 110.986 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 88.4 tttt -58.83 -44.34 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.986 0.422 . . . . 4.0099999999999998 110.077 179.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.37 -45.83 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.007 -0.738 . . . . 1.71 109.007 178.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 tp -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 2.6899999999999999 109.236 178.188 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 32.3 tp -60.1 -48.31 82.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.32 -0.855 . . . . 2.77 110.124 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 16' ' ' LEU . 93.7 mt -56.11 -41.93 76.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 2.27 112.415 -179.497 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 13.7 ptmm? -71.94 -37.52 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.362 -0.535 . . . . 3.8199999999999998 111.507 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' ILE . 3.0 pt20 -76.82 -36.69 56.72 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.198 -0.201 . . . . 3.98 111.496 -179.424 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 28.7 mt -42.25 -50.53 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.698 0.285 . . . . 4.0999999999999996 111.565 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' HD11 ' A' ' 21' ' ' LEU . 14.0 ptm180 -65.58 -42.08 92.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 6.3200000000000003 110.401 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 15' ' ' GLN . 76.6 mt -51.99 -31.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 3.3799999999999999 110.364 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.1 mmt -49.28 -21.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.688 -0.687 . . . . 4.3200000000000003 111.379 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.97 36.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.833 0.349 . . . . 7.0700000000000003 111.769 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 21' ' ' LEU . 13.4 mt -81.96 -33.2 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 5.0199999999999996 110.074 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.4 mm? 55.46 17.85 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.826 -0.624 . . . . 7.0 109.854 -178.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 115.215 -0.902 . . . . 6.8799999999999999 109.95 179.331 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 90.7 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.18 0.514 . . . . 3.2599999999999998 111.114 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 72.93 -52.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.431 -0.804 . . . . 1.8400000000000001 111.543 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -50.25 -43.37 53.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.251 0.548 . . . . 2.8500000000000001 109.568 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -48.97 -40.21 29.55 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.733 -0.667 . . . . 4.0099999999999998 109.881 179.168 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -59.85 -40.19 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.674 -0.693 . . . . 1.71 109.56 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.95 -42.3 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 2.6899999999999999 109.806 178.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.69 -54.35 48.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 2.77 110.702 179.226 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.895 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -64.89 -41.92 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 2.27 110.602 -179.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.895 ' N ' HD12 ' A' ' 13' ' ' LEU . 16.4 tppt? -64.63 -37.66 88.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.49 . . . . 3.8199999999999998 110.412 179.616 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.725 . . . . 3.98 110.246 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.1 tt -38.29 -55.61 1.32 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 4.0999999999999996 110.831 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 21' ' ' LEU . 37.5 ptt180 -54.86 -42.42 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 6.3200000000000003 110.694 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.7 mt -56.29 -30.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 3.3799999999999999 110.723 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 56.6 mtt -59.01 -36.92 75.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 4.3200000000000003 111.556 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -170.54 49.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.727 0.298 . . . . 7.0700000000000003 110.673 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -43.3 -40.03 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 5.0199999999999996 111.141 -179.203 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.2 tp -169.08 113.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.146 -0.479 . . . . 7.0 110.38 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.616 -0.72 . . . . 6.8799999999999999 109.513 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 6' ' ' VAL . 80.7 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.766 0.794 . . . . 3.2599999999999998 110.174 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.87 -50.69 0.31 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.884 -1.053 . . . . 1.8400000000000001 108.661 179.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -58.32 -47.77 82.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.367 -0.975 . . . . 2.8500000000000001 108.367 177.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.33 -45.87 92.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.119 -0.946 . . . . 4.0099999999999998 109.975 178.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.44 -39.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.699 -0.682 . . . . 1.71 109.989 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.84 -41.93 42.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.701 -0.681 . . . . 2.6899999999999999 109.88 178.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.025 -0.989 . . . . 2.77 112.232 -179.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.974 HD12 ' N ' ' A' ' 14' ' ' LYS . 3.9 pp -58.91 -40.02 83.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.23 0.456 . . . . 2.27 112.23 -178.359 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.974 ' N ' HD12 ' A' ' 13' ' ' LEU . 62.7 pttt -82.99 35.62 0.48 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.686 -0.406 . . . . 3.8199999999999998 112.002 -179.383 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 19.6 pt20 -167.74 -54.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.411 -0.359 . . . . 3.98 110.648 178.765 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.74 HD12 ' SD ' ' A' ' 19' ' ' MET . 60.9 tp -48.25 -51.93 23.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 4.0999999999999996 110.053 179.661 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -49.54 -39.23 33.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 6.3200000000000003 109.863 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -72.74 -47.67 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.52 -0.764 . . . . 3.3799999999999999 110.877 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.74 ' SD ' HD12 ' A' ' 16' ' ' LEU . 8.1 ptm -55.32 -27.8 49.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.205 -0.452 . . . . 4.3200000000000003 110.172 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -48.35 -42.36 31.24 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.44 -0.948 . . . . 7.0700000000000003 108.44 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -89.59 -54.7 3.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.202 -0.908 . . . . 5.0199999999999996 109.023 178.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 22' ' ' LEU . 2.9 mm? -79.07 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.397 -0.82 . . . . 7.0 110.199 178.876 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 6.8799999999999999 110.553 -179.529 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 6' ' ' VAL . 5.4 m . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.886 0.374 . . . . 3.2599999999999998 110.731 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -169.47 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.8400000000000001 111.179 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 9' ' ' LYS . 50.4 p-10 -51.98 -41.34 62.08 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.733 0.302 . . . . 2.8500000000000001 110.626 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HD3' HD11 ' A' ' 12' ' ' LEU . 4.0 tppp? -65.72 -46.67 78.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.227 0.536 . . . . 4.0099999999999998 109.689 179.372 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.39 -41.01 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 1.71 109.881 179.185 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.1 tp -62.2 -58.19 8.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.546 -0.752 . . . . 2.6899999999999999 110.475 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.5 pp -57.31 -38.13 73.55 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.787 -0.449 . . . . 2.77 109.787 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.708 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.7 mt -61.68 -35.08 76.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.105 0.479 . . . . 2.27 110.245 178.28 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 17' ' ' ARG . 57.1 tttm -73.5 -54.4 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 3.8199999999999998 110.623 179.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 3.6 pt20 -72.54 -9.51 58.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.596 . . . . 3.98 110.722 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.1 tp -42.85 -49.89 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 4.0999999999999996 110.649 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 14' ' ' LYS . 5.5 ptp85 -51.85 -40.01 59.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.658 -0.497 . . . . 6.3200000000000003 109.658 179.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLN . 57.5 mt -68.38 -43.2 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 3.3799999999999999 109.456 178.391 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -55.55 -34.43 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.448 0.642 . . . . 4.3200000000000003 109.504 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.57 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.6 mmp_? -106.56 32.48 4.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.392 -0.822 . . . . 7.0700000000000003 110.266 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.937 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.6 pp -55.1 -39.32 69.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 5.0199999999999996 109.863 179.175 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.937 ' N ' HD12 ' A' ' 21' ' ' LEU . 50.6 mt -166.9 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.053 -0.976 . . . . 7.0 109.082 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 114.884 -1.053 . . . . 6.8799999999999999 109.982 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 6' ' ' VAL . 60.2 t . . . . . 0 C--O 1.225 -0.217 0 CA-C-O 121.882 0.848 . . . . 3.2599999999999998 109.965 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.19 -45.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 107.128 -1.434 . . . . 1.8400000000000001 107.128 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 10' ' ' VAL . 64.1 t0 -71.58 -56.1 6.51 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 107.367 -1.346 . . . . 2.8500000000000001 107.367 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CE ' HD21 ' A' ' 12' ' ' LEU . 2.4 tpmt? -79.81 41.53 0.5 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.065 -0.97 . . . . 4.0099999999999998 108.977 177.093 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' A' ' 8' ' ' ASP . 93.2 t -150.03 -51.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.288 -0.869 . . . . 1.71 109.509 -179.478 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.634 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.3 tt -54.76 -43.99 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.665 -0.698 . . . . 2.6899999999999999 109.235 178.752 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.6 pp -64.59 -29.42 70.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 2.77 111.478 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 12' ' ' LEU . 91.5 mt -59.11 -44.06 91.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.241 0.544 . . . . 2.27 109.911 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 16' ' ' LEU . 33.8 mmtp -89.31 -52.5 5.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 3.8199999999999998 110.439 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.828 HE22 HD12 ' A' ' 18' ' ' ILE . 25.9 mm-40 61.95 -7.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.679 -0.691 . . . . 3.98 112.027 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 16' ' ' LEU . 3.1 tm? -46.07 -44.1 15.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.409 . . . . 4.0999999999999996 110.776 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -52.42 -35.7 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 6.3200000000000003 110.816 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.828 HD12 HE22 ' A' ' 15' ' ' GLN . 54.8 mt -92.88 -32.93 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.763 -0.653 . . . . 3.3799999999999999 110.935 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 tpt -70.9 34.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 4.3200000000000003 111.237 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' ILE . 38.3 ptt180 -139.65 -24.55 0.85 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 7.0700000000000003 110.478 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -63.98 -30.43 71.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 5.0199999999999996 110.404 178.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.4 pt? -147.75 47.04 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.621 . . . . 7.0 110.558 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 115.548 -0.751 . . . . 6.8799999999999999 110.379 179.768 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 6' ' ' VAL . 11.7 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.215 0.531 . . . . 3.2599999999999998 112.09 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.2 -60.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.319 -0.623 . . . . 1.8400000000000001 109.319 179.155 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.36 -51.62 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.363 0.601 . . . . 2.8500000000000001 109.756 178.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -58.17 -31.3 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.506 -0.77 . . . . 4.0099999999999998 111.108 179.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -57.16 -43.61 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.461 . . . . 1.71 109.997 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.583 HD23 ' NE2' ' A' ' 15' ' ' GLN . 5.5 mp -63.02 -38.73 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.484 0.659 . . . . 2.6899999999999999 109.787 179.03 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.545 ' HA ' HD21 ' A' ' 16' ' ' LEU . 74.6 mt -60.42 -19.32 55.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 2.77 110.916 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.73 -25.02 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 2.27 111.909 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 2.4 tpmt? -165.81 -34.61 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.746 0.647 . . . . 3.8199999999999998 112.746 -178.87 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.583 ' NE2' HD23 ' A' ' 11' ' ' LEU . 37.9 tt0 -40.12 -26.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.156 0.428 . . . . 3.98 112.156 -178.546 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 12' ' ' LEU . 3.7 mm? -47.18 -42.86 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.094 0.473 . . . . 4.0999999999999996 110.437 179.518 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -64.56 -40.87 96.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.661 -0.496 . . . . 6.3200000000000003 109.661 179.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -57.47 -52.35 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 3.3799999999999999 110.784 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 19.1 ptp -56.83 -41.06 77.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.421 . . . . 4.3200000000000003 110.157 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 22' ' ' LEU . 44.8 mtp85 -60.81 -54.97 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 7.0700000000000003 109.891 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 21' ' ' LEU . 6.5 mp -79.44 33.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.259 0.552 . . . . 5.0199999999999996 110.088 178.362 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' ARG . 25.5 tp -166.84 48.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 7.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.664 -0.698 . . . . 6.8799999999999999 109.513 179.06 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.225 0.536 . . . . 10.210000000000001 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.846 HG13 HG21 ' A' ' 6' ' ' VAL . 85.3 t -79.07 77.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.543 -0.753 . . . . 7.1399999999999997 111.679 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.39 -69.74 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.327 0.584 . . . . 5.7800000000000002 110.201 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.49 146.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.122 -0.945 . . . . 6.3600000000000003 108.783 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 56.22 32.97 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.453 0.644 . . . . 5.2300000000000004 109.358 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.846 HG21 HG13 ' A' ' 2' ' ' VAL . 27.5 m -72.2 54.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.975 -1.011 . . . . 3.2599999999999998 111.841 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.97 -43.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 1.8400000000000001 110.491 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -44.47 -46.89 9.9 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.146 -0.479 . . . . 2.8500000000000001 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 87.8 tttt -49.7 -42.1 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.342 0.591 . . . . 4.0099999999999998 110.132 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.8 -42.52 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.012 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.99 -50.49 73.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.771 -0.65 . . . . 2.6899999999999999 110.827 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.6 pp -64.69 -37.1 86.44 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.784 -0.366 . . . . 2.77 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 12' ' ' LEU . 67.2 mt -66.85 -45.83 76.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 2.27 111.202 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -77.22 -53.47 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 3.8199999999999998 111.004 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 16' ' ' LEU . 22.5 mt-30 -65.95 -20.27 66.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 3.98 111.226 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 15' ' ' GLN . 58.3 tp -11.74 -65.46 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.208 0.603 . . . . 4.0999999999999996 112.533 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 56.4 mtp85 -57.99 -60.5 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.202 0.525 . . . . 6.3200000000000003 110.176 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' GLN . 67.3 mt -47.95 -38.18 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 3.3799999999999999 110.178 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.31 -56.61 13.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.363 -0.835 . . . . 4.3200000000000003 111.661 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' CD ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -60.49 -37.46 81.14 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.408 -0.517 . . . . 7.0700000000000003 110.3 -179.381 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD12 ' CD ' ' A' ' 20' ' ' ARG . 7.1 mp -65.08 -48.86 72.25 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.915 -0.402 . . . . 5.0199999999999996 109.915 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.7 tp -62.67 -62.66 1.58 Allowed 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.995 -0.548 . . . . 7.0 110.011 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.474 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 70.3 p -79.08 -128.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.53 -0.759 . . . . 6.8799999999999999 109.175 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HE ' ' HA ' ' A' ' 24' ' ' ARG . 3.6 mmp_? -158.2 -46.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.785 -0.45 . . . . 10.630000000000001 109.785 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.7 pt? . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.458 -0.782 . . . . 10.67 110.006 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.615 0.245 . . . . 10.210000000000001 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.07 122.27 22.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.269 -0.423 . . . . 7.1399999999999997 110.207 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -174.08 38.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.199 0.523 . . . . 5.7800000000000002 110.079 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 52.15 -162.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 6.3600000000000003 109.685 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 7' ' ' ALA . 38.6 ttpt 54.75 13.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.074 0.464 . . . . 5.2300000000000004 111.056 178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.7 p -74.42 35.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.441 0.638 . . . . 3.2599999999999998 110.997 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -172.6 -45.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.35 -0.841 . . . . 1.8400000000000001 109.46 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.03 -50.86 34.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 2.8500000000000001 110.226 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HB2' ' HG2' ' A' ' 5' ' ' LYS . 6.2 tmtt? -64.63 -43.63 93.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.251 0.548 . . . . 4.0099999999999998 109.562 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.4 -41.41 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.654 -0.703 . . . . 1.71 109.651 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.73 -46.56 81.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.881 -0.785 . . . . 2.6899999999999999 108.881 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' LEU . 87.7 mt -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 2.77 109.293 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.92 -45.57 88.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 2.27 110.332 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.19 -46.69 79.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.456 0.646 . . . . 3.8199999999999998 109.564 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 18' ' ' ILE . 26.1 mt-30 -69.31 -21.6 63.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.027 -0.988 . . . . 3.98 110.638 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 16' ' ' LEU . 6.3 tt -35.65 -54.78 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.983 -0.553 . . . . 4.0999999999999996 111.989 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' O ' ' HD2' ' A' ' 20' ' ' ARG . 37.9 ptt85 -58.77 -33.55 70.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.76 0.314 . . . . 6.3200000000000003 111.58 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 59.8 mt -85.21 -54.85 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.27 0.47 . . . . 3.3799999999999999 112.27 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.462 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 27.0 ptm -41.92 -34.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.05 0.759 . . . . 4.3200000000000003 113.05 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HD2' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -46.55 -35.44 5.79 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.264 -0.574 . . . . 7.0700000000000003 110.382 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.7 pp -56.64 -37.39 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 5.0199999999999996 110.404 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.751 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.81 -40.95 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 7.0 109.716 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -78.71 42.73 0.46 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.258 0.552 . . . . 6.8799999999999999 110.207 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 24' ' ' ARG . 16.4 tpp180 -158.78 41.68 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.618 -0.719 . . . . 10.630000000000001 110.214 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.48 -0.771 . . . . 10.67 110.443 -179.735 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.4 m170 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.574 0.225 . . . . 10.210000000000001 111.089 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.631 ' HA ' HG11 ' A' ' 6' ' ' VAL . 42.1 t -75.14 60.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.171 -0.468 . . . . 7.1399999999999997 109.852 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 39.7 m-20 -44.39 -63.33 0.91 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.207 -0.451 . . . . 5.7800000000000002 110.295 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 168.9 -40.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.939 -0.573 . . . . 6.3600000000000003 110.485 178.616 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 7' ' ' ALA . 75.1 mmtt -75.74 23.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.4 . . . . 5.2300000000000004 110.642 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.631 HG11 ' HA ' ' A' ' 2' ' ' VAL . 28.7 m -74.07 41.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.691 -0.686 . . . . 3.2599999999999998 111.009 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . 176.57 -47.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 1.8400000000000001 109.458 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.79 -45.17 14.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.711 -0.677 . . . . 2.8500000000000001 110.345 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -48.82 -40.45 29.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 4.0099999999999998 110.196 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.3 -45.71 34.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 1.71 109.486 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -50.31 -38.01 39.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.267 -0.879 . . . . 2.6899999999999999 110.44 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 97.8 mt -45.12 -47.01 12.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 2.77 110.155 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -47.19 -42.24 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 2.27 110.278 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -76.75 -42.93 39.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.818 -0.628 . . . . 3.8199999999999998 109.699 179.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -53.56 -29.0 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.674 . . . . 3.98 109.753 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 93.7 mt -55.59 -41.74 73.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.458 . . . . 4.0999999999999996 109.872 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HG3' HH11 ' A' ' 17' ' ' ARG . 19.5 mmt85 -68.99 -47.71 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.776 -0.647 . . . . 6.3200000000000003 110.069 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' A' ' 20' ' ' ARG . 51.4 mm -60.53 -40.32 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 3.3799999999999999 110.952 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.13 42.8 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.938 -0.574 . . . . 4.3200000000000003 111.172 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.44 HH11 ' HG3' ' A' ' 20' ' ' ARG . 34.5 ttm-85 -175.96 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.985 -0.746 . . . . 7.0700000000000003 108.985 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 mt -78.15 43.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 5.0199999999999996 110.083 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' ARG . 60.8 tp 178.95 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 7.0 110.618 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 p -69.9 29.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.529 0.566 . . . . 6.8799999999999999 112.529 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 22' ' ' LEU . 67.0 mtp180 52.87 14.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.029 0.381 . . . . 10.630000000000001 112.029 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 20' ' ' ARG . 45.9 mt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.387 -0.816 . . . . 10.67 110.368 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.789 0.328 . . . . 10.210000000000001 111.093 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.31 50.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.415 0.626 . . . . 7.1399999999999997 110.618 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.635 ' HB3' HG12 ' A' ' 6' ' ' VAL . 1.3 t70 -151.58 146.42 25.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.361 -0.836 . . . . 5.7800000000000002 109.209 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 4' ' ' LYS . 4.5 mptp? -64.2 -43.3 95.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.238 0.829 . . . . 6.3600000000000003 113.238 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.526 ' HD3' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.47 -44.06 88.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.743 -0.383 . . . . 5.2300000000000004 111.062 -179.256 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.635 HG12 ' HB3' ' A' ' 3' ' ' ASP . 13.1 p -72.26 33.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.441 0.638 . . . . 3.2599999999999998 111.214 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -161.84 -54.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.05 -0.722 . . . . 1.8400000000000001 109.05 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 33.3 t70 -50.79 -44.75 58.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.438 -0.801 . . . . 2.8500000000000001 109.147 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -57.64 -37.77 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 4.0099999999999998 109.412 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.61 HG12 ' NZ ' ' A' ' 14' ' ' LYS . 33.2 t -54.75 -37.61 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 109.163 -0.68 . . . . 1.71 109.163 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.8 tm? -63.79 -43.01 97.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.42 -0.956 . . . . 2.6899999999999999 108.42 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 89.7 mt -61.53 -36.95 82.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.658 -0.701 . . . . 2.77 110.46 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.95 -38.73 70.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.253 0.549 . . . . 2.27 109.816 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.61 ' NZ ' HG12 ' A' ' 10' ' ' VAL . 58.0 mttp -84.39 -56.22 3.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.705 . . . . 3.8199999999999998 111.057 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 12' ' ' LEU . 43.9 mm-40 51.31 18.25 0.6 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.114 -0.494 . . . . 3.98 111.276 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.6 tt -63.72 -47.65 80.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.16 -0.473 . . . . 4.0999999999999996 109.8 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.409 ' NE ' HD21 ' A' ' 11' ' ' LEU . 14.4 ptp180 -54.66 -44.52 73.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.615 -0.513 . . . . 6.3200000000000003 109.615 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 20' ' ' ARG . 41.4 mm -61.73 -48.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.018 -0.734 . . . . 3.3799999999999999 109.018 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.3 mmt -76.3 40.12 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 4.3200000000000003 110.109 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HD3' ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -154.24 -52.36 0.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.259 -1.015 . . . . 7.0700000000000003 108.259 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 17' ' ' ARG . 94.5 mt -61.63 -38.64 88.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 107.938 -1.134 . . . . 5.0199999999999996 107.938 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.633 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.9 tm? -108.62 121.77 45.7 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.638 -1.165 . . . . 7.0 108.461 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 t 179.78 -43.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.045 0.45 . . . . 6.8799999999999999 110.442 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -101.48 37.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 10.630000000000001 109.671 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.77 -1.11 . . . . 10.67 110.108 -179.79 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 3' ' ' ASP . 86.6 m-70 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.069 0.461 . . . . 10.210000000000001 109.93 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 2' ' ' VAL . 19.9 t -78.93 44.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 7.1399999999999997 109.474 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 1' ' ' HIS . 1.4 m-20 -121.06 -70.95 0.76 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 5.7800000000000002 109.184 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -65.52 -42.29 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.583 0.706 . . . . 6.3600000000000003 110.522 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HA ' ' HG3' ' A' ' 9' ' ' LYS . 63.9 tttp -59.26 -29.59 67.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.291 -0.868 . . . . 5.2300000000000004 111.711 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 94.0 t -63.15 87.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 114.21 1.189 . . . . 3.2599999999999998 114.21 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 70.81 -50.38 0.68 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.826 1.047 . . . . 1.8400000000000001 113.826 176.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' ALA . 34.1 t70 -39.24 -38.0 0.47 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.577 -0.527 . . . . 2.8500000000000001 109.577 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG3' ' HA ' ' A' ' 5' ' ' LYS . 44.0 mtpt -61.72 -53.32 57.6 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.735 -0.666 . . . . 4.0099999999999998 110.783 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' ALA . 72.9 t -56.99 -47.25 83.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.483 0.659 . . . . 1.71 109.432 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 39.4 tp -60.37 -37.93 82.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.008 -0.997 . . . . 2.6899999999999999 109.889 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.49 -62.52 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.064 0.459 . . . . 2.77 110.993 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -57.4 -41.55 80.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 2.27 111.512 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' HD12 ' A' ' 13' ' ' LEU . 28.5 mtpp -72.68 -49.27 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.73 -0.388 . . . . 3.8199999999999998 110.949 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.8 tt0 -50.85 -39.37 53.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.92 -0.4 . . . . 3.98 109.92 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -55.9 -39.31 71.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.354 -0.61 . . . . 4.0999999999999996 109.354 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.08 -44.36 54.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.329 -0.851 . . . . 6.3200000000000003 110.14 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.66 -50.32 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 3.3799999999999999 110.161 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 20.5 mmt -56.57 -42.61 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.234 0.54 . . . . 4.3200000000000003 109.682 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -99.09 32.61 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 7.0700000000000003 110.309 178.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.861 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.2 pp -53.68 -33.89 56.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.293 0.568 . . . . 5.0199999999999996 110.224 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.861 ' N ' HD12 ' A' ' 21' ' ' LEU . 74.2 mt -159.24 -57.71 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.032 -0.985 . . . . 7.0 108.799 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p 42.06 65.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 6.8799999999999999 111.672 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -62.16 -41.78 98.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.5 -0.556 . . . . 10.630000000000001 109.5 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.988 -1.006 . . . . 10.67 111.012 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.3 m80 . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 110.457 -0.201 . . . . 10.210000000000001 110.457 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.713 HG12 HG11 ' A' ' 6' ' ' VAL . 14.9 p -178.75 -42.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 123.286 0.366 . . . . 7.1399999999999997 110.607 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 3' ' ' ASP . 14.5 t0 -144.42 34.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.217 0.532 . . . . 5.7800000000000002 111.397 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 6' ' ' VAL . 26.9 ttpp 57.77 147.31 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.36 0.6 . . . . 6.3600000000000003 111.779 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' ' 7' ' ' ALA . 86.1 tttt 63.44 -4.72 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.141 -0.481 . . . . 5.2300000000000004 111.149 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.713 HG11 HG12 ' A' ' 2' ' ' VAL . 13.0 p -73.68 45.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.507 0.67 . . . . 3.2599999999999998 110.581 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -164.77 -47.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.305 -0.861 . . . . 1.8400000000000001 108.94 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 22.7 t70 -55.43 -45.34 76.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.363 -0.835 . . . . 2.8500000000000001 109.463 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HG2' HD23 ' A' ' 13' ' ' LEU . 87.2 tttt -76.72 -36.54 57.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.74 . . . . 4.0099999999999998 109.884 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 59.2 t -55.97 -44.31 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.603 -0.726 . . . . 1.71 111.777 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.9 pp -67.02 -38.29 85.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.936 0.347 . . . . 2.6899999999999999 111.936 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.972 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.8 pp -78.66 -41.17 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 2.77 111.739 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.972 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.4 pp -59.54 -31.31 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.99 -0.444 . . . . 2.27 110.962 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.822 ' N ' HD12 ' A' ' 13' ' ' LEU . 60.3 pttt -79.9 14.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.948 -0.301 . . . . 3.8199999999999998 111.559 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 26.4 pt20 -162.66 -59.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.097 -0.241 . . . . 3.98 111.31 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' LEU . 59.2 tp -57.62 -47.37 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.147 0.498 . . . . 4.0999999999999996 110.0 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -65.59 -47.84 74.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 6.3200000000000003 109.857 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 62.4 mt -51.66 -41.45 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 3.3799999999999999 110.141 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.6 ttm -41.24 -32.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.717 -0.674 . . . . 4.3200000000000003 111.213 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HA ' HG22 ' A' ' 23' ' ' THR . 38.4 ptt180 -45.72 -44.76 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.985 0.421 . . . . 7.0700000000000003 111.261 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.655 ' C ' HD12 ' A' ' 21' ' ' LEU . 2.6 pp -64.74 -32.86 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.521 . . . . 5.0199999999999996 110.946 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 58.8 tp -77.75 -51.41 10.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.164 -0.471 . . . . 7.0 110.992 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 20' ' ' ARG . 15.0 t -63.16 -31.96 73.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 6.8799999999999999 110.902 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' THR . 21.5 mmt85 75.42 -52.19 0.65 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.835 -0.621 . . . . 10.630000000000001 110.904 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.901 -0.571 . . . . 10.67 109.773 -179.792 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.452 0.168 . . . . 10.210000000000001 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 3' ' ' ASP . 7.3 p -49.61 -41.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.918 -0.401 . . . . 7.1399999999999997 109.918 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 36.2 t70 172.09 -24.18 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.339 -0.846 . . . . 5.7800000000000002 109.893 178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 64.7 tttm 74.72 145.63 0.08 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.654 -0.703 . . . . 6.3600000000000003 110.367 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 58.5 pttt 64.27 -36.62 0.18 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.126 0.971 . . . . 5.2300000000000004 112.047 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 6' ' ' VAL . 91.2 t -76.35 43.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 122.252 1.025 . . . . 3.2599999999999998 109.621 177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -167.68 -43.68 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.214 -1.357 . . . . 1.8400000000000001 107.404 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -70.52 -50.93 32.59 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.942 -1.027 . . . . 2.8500000000000001 109.509 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 4.3 tmmm? -55.62 -48.78 74.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.621 -0.718 . . . . 4.0099999999999998 110.257 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.7 p -66.36 -48.32 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 1.71 110.601 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HG13 ' A' ' 10' ' ' VAL . 89.5 mt -75.06 39.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 2.6899999999999999 111.803 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -161.34 -49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.338 -0.615 . . . . 2.77 109.338 178.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.5 mt -82.02 -55.03 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.214 -0.662 . . . . 2.27 109.214 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.19 -43.57 73.91 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.143 -0.688 . . . . 3.8199999999999998 109.143 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.11 -54.33 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 3.98 110.808 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 95.5 mt -59.2 -43.28 92.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.207 0.527 . . . . 4.0999999999999996 109.766 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -57.01 -43.93 82.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.754 -0.657 . . . . 6.3200000000000003 109.606 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.12 -39.85 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.077 -0.51 . . . . 3.3799999999999999 110.099 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.672 ' SD ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.46 -39.77 70.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 4.3200000000000003 109.902 179.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HG2' ' SD ' ' A' ' 19' ' ' MET . 9.9 mmp_? -132.05 55.68 1.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.531 0.681 . . . . 7.0700000000000003 110.883 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.0 pp -74.78 45.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.156 -0.929 . . . . 5.0199999999999996 110.763 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.7 mt 53.01 28.54 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.449 0.642 . . . . 7.0 110.218 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 23' ' ' THR . 12.9 m 43.13 33.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.838 -1.073 . . . . 6.8799999999999999 111.451 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 24' ' ' ARG . 70.4 mtt-85 -65.29 -16.53 63.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.055 0.455 . . . . 10.630000000000001 110.447 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.6 pp . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.662 -0.699 . . . . 10.67 110.197 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 59.1 m170 . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.837 -0.431 . . . . 10.210000000000001 109.837 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' HA ' ' CG1' ' A' ' 6' ' ' VAL . 95.8 t -69.64 -67.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 7.1399999999999997 110.664 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 46.94 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.554 -0.748 . . . . 5.7800000000000002 111.393 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -171.24 60.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.63 0.728 . . . . 6.3600000000000003 109.114 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.606 ' C ' ' H ' ' A' ' 7' ' ' ALA . 17.1 tppt? -161.77 -30.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.175 -0.92 . . . . 5.2300000000000004 111.266 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 2' ' ' VAL . 9.9 p -65.06 18.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.142 0.496 . . . . 3.2599999999999998 111.357 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.606 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -141.59 29.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.435 -0.95 . . . . 1.8400000000000001 108.435 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -155.98 -53.77 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.763 -1.562 . . . . 2.8500000000000001 108.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HB2' ' HD2' ' A' ' 5' ' ' LYS . 59.3 tttm -65.16 -45.84 83.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 4.0099999999999998 110.125 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -50.11 -49.58 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.331 -0.618 . . . . 1.71 109.331 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.68 -41.64 87.78 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.472 -0.786 . . . . 2.6899999999999999 109.438 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -50.12 -48.59 53.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 2.77 109.935 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -40.68 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.538 . . . . 2.27 110.055 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.31 -42.42 99.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.414 0.626 . . . . 3.8199999999999998 109.494 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ILE . 26.3 mt-30 -61.63 -33.12 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.232 -0.895 . . . . 3.98 110.605 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.4 tm? -40.05 -49.04 2.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.999 0.428 . . . . 4.0999999999999996 110.057 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -49.93 -47.51 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.334 -0.617 . . . . 6.3200000000000003 109.334 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLN . 54.2 mt -64.82 -42.35 94.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.478 -0.783 . . . . 3.3799999999999999 110.177 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.581 ' HB3' ' NH2' ' A' ' 20' ' ' ARG . 7.3 mmt -54.78 -36.92 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 4.3200000000000003 109.276 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.581 ' NH2' ' HB3' ' A' ' 19' ' ' MET . 14.8 mmp_? -94.85 31.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.562 -0.745 . . . . 7.0700000000000003 109.87 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.891 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.9 pp -52.75 -38.02 60.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 5.0199999999999996 110.693 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.891 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.3 tm? -174.4 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.97 -0.559 . . . . 7.0 110.11 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 6.7 p -71.93 -83.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 6.8799999999999999 110.381 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' H ' HD12 ' A' ' 25' ' ' LEU . 38.8 ptt180 170.98 -40.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 10.630000000000001 110.859 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.65 -0.691 . . . . 10.67 110.141 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 2' ' ' VAL . 24.1 t-80 . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 110.499 -0.186 . . . . 10.210000000000001 110.499 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.488 ' O ' ' ND1' ' A' ' 1' ' ' HIS . 5.7 p -55.62 138.24 16.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.236 -0.283 . . . . 7.1399999999999997 110.236 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -73.19 34.45 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.129 0.49 . . . . 5.7800000000000002 110.93 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 2' ' ' VAL . 23.4 tptm -54.21 104.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.913 0.387 . . . . 6.3600000000000003 110.509 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 7' ' ' ALA . 67.6 mttm 60.51 8.24 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.667 . . . . 5.2300000000000004 111.035 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 6' ' ' VAL . 28.7 t -77.14 45.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.914 0.864 . . . . 3.2599999999999998 109.861 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -170.35 -39.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.339 -1.3 . . . . 1.8400000000000001 108.246 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -59.29 -53.26 60.29 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.285 -0.871 . . . . 2.8500000000000001 109.472 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.07 -49.54 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.714 . . . . 4.0099999999999998 110.027 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 t -52.3 -50.9 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.9 -0.591 . . . . 1.71 109.787 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -55.95 -51.85 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.747 -0.66 . . . . 2.6899999999999999 110.767 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.2 mt -56.39 -43.36 79.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 2.77 110.379 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 15' ' ' GLN . 94.8 mt -62.82 -51.83 65.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.948 -0.569 . . . . 2.27 110.115 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 10.6 ptmm? -75.89 31.93 0.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.907 0.384 . . . . 3.8199999999999998 110.907 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' A' ' 13' ' ' LEU . 4.8 tp60 -140.93 -57.34 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.084 -0.709 . . . . 3.98 109.084 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.2 tt -53.24 -47.19 69.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.013 -0.736 . . . . 4.0999999999999996 109.013 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -55.35 -37.75 67.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.645 -0.707 . . . . 6.3200000000000003 109.876 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.21 -47.95 89.86 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 N-CA-C 109.863 -0.421 . . . . 3.3799999999999999 109.863 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.24 -39.88 84.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.484 0.659 . . . . 4.3200000000000003 109.845 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -67.3 -49.43 64.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.063 -0.971 . . . . 7.0700000000000003 112.334 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.14 -40.8 36.89 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.421 0.526 . . . . 5.0199999999999996 112.421 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 22' ' ' LEU . 2.0 tm? -48.58 -52.21 23.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.623 -0.262 . . . . 7.0 111.252 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 HD12 ' A' ' 22' ' ' LEU . 14.1 t -168.59 140.59 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 6.8799999999999999 111.573 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.547 HH11 ' HA ' ' A' ' 24' ' ' ARG . 5.1 mmm180 -157.03 44.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.589 . . . . 10.630000000000001 109.922 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.785 -1.102 . . . . 10.67 110.451 -179.469 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.653 0.263 . . . . 10.210000000000001 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.547 HG11 HG12 ' A' ' 6' ' ' VAL . 17.9 m -46.07 124.69 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 7.1399999999999997 111.525 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.51 -42.46 70.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 5.7800000000000002 110.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -157.03 60.26 0.52 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.63 -0.714 . . . . 6.3600000000000003 110.269 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HG2' ' HD3' ' A' ' 9' ' ' LYS . 54.4 mttp 68.69 166.65 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 5.2300000000000004 110.655 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.547 HG12 HG11 ' A' ' 2' ' ' VAL . 11.4 p -154.87 42.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.562 0.696 . . . . 3.2599999999999998 109.443 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 72.02 -60.89 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.972 -1.013 . . . . 1.8400000000000001 110.527 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 55.8 m-20 -48.81 -46.21 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.365 0.603 . . . . 2.8500000000000001 109.729 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HD3' ' HG2' ' A' ' 5' ' ' LYS . 76.2 tttt -52.05 -44.0 64.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 4.0099999999999998 110.163 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.53 -42.01 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.424 -0.584 . . . . 1.71 109.424 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 45.9 tp -57.41 -47.42 81.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.609 -0.723 . . . . 2.6899999999999999 109.763 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.78 -41.64 97.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.153 0.502 . . . . 2.77 109.778 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 95.0 mt -61.3 -38.97 88.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 2.27 111.679 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.68 7.17 4.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.676 -0.409 . . . . 3.8199999999999998 111.652 -179.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 6.4 pt20 -162.19 43.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.243 0.544 . . . . 3.98 110.661 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.09 -52.82 53.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.847 -0.615 . . . . 4.0999999999999996 110.166 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 53.3 ttm-85 -63.43 -43.28 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.781 -0.645 . . . . 6.3200000000000003 109.536 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 15' ' ' GLN . 72.0 mt -58.8 -42.23 84.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 3.3799999999999999 110.191 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.8 tpt -61.79 -55.29 31.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.978 -0.555 . . . . 4.3200000000000003 111.11 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.606 ' C ' ' H ' ' A' ' 22' ' ' LEU . 17.0 ptp180 -56.08 -44.85 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.573 -0.899 . . . . 7.0700000000000003 108.573 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.97 28.4 0.06 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.57 0.7 . . . . 5.0199999999999996 109.627 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 20' ' ' ARG . 29.0 tp -157.31 38.7 0.29 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.161 -1.051 . . . . 7.0 108.161 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 14.7 m -146.47 -54.33 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.605 -1.179 . . . . 6.8799999999999999 110.089 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.61 ' C ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER 147.18 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.566 0.746 . . . . 10.630000000000001 110.192 178.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD12 ' C ' ' A' ' 24' ' ' ARG . 2.9 mp . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.09 -0.957 . . . . 10.67 110.887 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.515 -0.179 . . . . 10.210000000000001 110.515 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -52.13 134.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.391 . . . . 7.1399999999999997 109.946 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -139.93 141.33 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.328 0.585 . . . . 5.7800000000000002 111.307 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' VAL . 17.5 ptpt -84.18 -29.5 26.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.443 -0.798 . . . . 6.3600000000000003 111.002 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -66.77 31.64 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.04 -0.527 . . . . 5.2300000000000004 112.106 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.545 ' H ' ' C ' ' A' ' 4' ' ' LYS . 12.8 p -158.06 31.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.517 -0.919 . . . . 3.2599999999999998 108.517 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.94 -53.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.509 -1.223 . . . . 1.8400000000000001 109.959 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.6 p-10 -61.33 -43.92 98.06 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.61 -0.885 . . . . 2.8500000000000001 108.61 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 6.4 mtpm? -52.01 -45.8 64.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.629 -0.714 . . . . 4.0099999999999998 109.093 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.3 t -54.11 -44.21 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 115.563 -0.744 . . . . 1.71 109.248 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD1' HG21 ' A' ' 18' ' ' ILE . 50.2 tp -58.11 -43.73 87.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.226 -0.657 . . . . 2.6899999999999999 109.226 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 HD23 ' NE2' ' A' ' 15' ' ' GLN . 84.9 mt -57.3 -37.85 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 2.77 110.476 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.1 mt -50.54 -37.9 41.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 2.27 111.116 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -138.52 32.74 2.28 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.084 0.468 . . . . 3.8199999999999998 110.975 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.8 pt20 -60.28 -22.54 63.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.887 -0.597 . . . . 3.98 110.21 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 16' ' ' LEU . 2.8 tm? -46.22 -60.47 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 4.0999999999999996 111.128 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.617 ' HG2' HD11 ' A' ' 21' ' ' LEU . 44.2 ttt85 -81.07 -51.76 8.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 6.3200000000000003 110.941 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.59 ' HA ' HD12 ' A' ' 21' ' ' LEU . 60.6 mt -47.83 -43.04 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.501 -0.318 . . . . 3.3799999999999999 111.314 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.53 ' O ' HD13 ' A' ' 22' ' ' LEU . 17.3 tpt -53.97 -37.27 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 4.3200000000000003 110.897 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 20.4 ptp180 -97.36 35.88 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 7.0700000000000003 110.57 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' A' ' 17' ' ' ARG . 96.4 mt -135.4 23.28 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 5.0199999999999996 110.796 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 19' ' ' MET . 6.4 mp -93.61 -49.63 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.636 -0.711 . . . . 7.0 109.199 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -78.93 48.72 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.335 -0.848 . . . . 6.8799999999999999 110.754 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -80.15 -42.49 23.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 10.630000000000001 110.853 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 25' ' ' LEU . 5.2 mp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.793 -1.098 . . . . 10.67 110.144 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.9 m170 . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.481 -0.192 . . . . 10.210000000000001 110.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.3 t -46.58 -46.1 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.256 0.55 . . . . 7.1399999999999997 109.956 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' O ' HG12 ' A' ' 6' ' ' VAL . 7.6 t70 166.42 104.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.853 -1.067 . . . . 5.7800000000000002 109.272 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 4' ' ' LYS . 45.8 tptt -74.07 62.29 0.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.531 0.681 . . . . 6.3600000000000003 109.903 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HE2' ' N ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -160.68 -44.56 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.865 -1.061 . . . . 5.2300000000000004 108.942 -179.2 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 6' ' ' VAL . 9.4 p -60.7 77.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.611 -0.722 . . . . 3.2599999999999998 110.987 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 168.13 -52.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.222 -0.899 . . . . 1.8400000000000001 109.677 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -52.63 -40.61 62.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.455 -0.793 . . . . 2.8500000000000001 110.576 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -52.9 -42.04 64.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 4.0099999999999998 110.619 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -49.5 -50.51 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.387 0.613 . . . . 1.71 109.666 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.717 HD13 HE22 ' A' ' 15' ' ' GLN . 78.9 mt -67.96 -38.44 82.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.296 -0.865 . . . . 2.6899999999999999 109.431 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.48 -36.43 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.446 -0.797 . . . . 2.77 109.9 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.1 mt -58.84 -30.98 68.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 2.27 110.18 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG2' HD11 ' A' ' 18' ' ' ILE . 40.4 ttmt -167.68 94.41 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.198 0.523 . . . . 3.8199999999999998 111.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.717 HE22 HD13 ' A' ' 11' ' ' LEU . 49.0 tt0 -168.35 -54.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.863 -0.791 . . . . 3.98 108.863 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' H ' HD22 ' A' ' 16' ' ' LEU . 2.4 mm? -74.65 -48.27 27.24 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.187 -0.671 . . . . 4.0999999999999996 109.187 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -33.14 26.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.639 -0.71 . . . . 6.3200000000000003 109.843 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' HG2' ' A' ' 14' ' ' LYS . 60.0 mt -56.48 -43.0 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.606 -0.724 . . . . 3.3799999999999999 109.171 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.91 47.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.424 -0.807 . . . . 4.3200000000000003 109.926 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -165.77 -45.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.935 -0.575 . . . . 7.0700000000000003 110.421 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.2 pp 35.82 46.62 0.34 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.276 0.56 . . . . 5.0199999999999996 110.089 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.4 tm? -18.02 117.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 114.788 -1.096 . . . . 7.0 111.696 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.516 ' N ' HD13 ' A' ' 22' ' ' LEU . 10.4 t -164.61 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.825 -1.08 . . . . 6.8799999999999999 109.658 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 23' ' ' THR . 21.0 tpp180 72.08 -38.08 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.982 -0.554 . . . . 10.630000000000001 111.613 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 23' ' ' THR . 32.1 tp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 119.069 -0.491 . . . . 10.67 110.211 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 64.6 t60 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.358 0.123 . . . . 10.210000000000001 111.318 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 3' ' ' ASP . 17.1 m -155.35 -51.78 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.75 -0.204 . . . . 7.1399999999999997 111.389 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.477 ' N ' HG23 ' A' ' 2' ' ' VAL . 10.7 t70 179.17 -126.38 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.625 -0.509 . . . . 5.7800000000000002 109.625 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 22.4 tptm -87.03 173.55 9.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.987 0.515 . . . . 6.3600000000000003 110.282 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 4' ' ' LYS . 6.0 mptp? 68.27 4.61 4.26 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.955 0.354 . . . . 5.2300000000000004 111.955 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 6' ' ' VAL . 91.5 t -74.62 54.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.378 0.608 . . . . 3.2599999999999998 110.885 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' VAL . . . 173.92 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.352 -0.981 . . . . 1.8400000000000001 108.352 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 19.4 t70 -58.83 -50.04 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.936 -1.029 . . . . 2.8500000000000001 109.779 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG3' ' HB3' ' A' ' 5' ' ' LYS . 47.0 mtmt -60.87 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.423 0.63 . . . . 4.0099999999999998 109.516 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.0 -34.18 48.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.387 -0.824 . . . . 1.71 110.331 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 56.8 tp -46.03 -36.29 5.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.236 -0.438 . . . . 2.6899999999999999 109.913 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp -61.93 -46.38 89.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.516 -0.55 . . . . 2.77 109.516 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.83 -44.24 97.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.572 -0.74 . . . . 2.27 109.507 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 20.2 tptm -60.79 -48.28 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.64 -0.709 . . . . 3.8199999999999998 109.959 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.16 -47.01 82.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.591 -0.522 . . . . 3.98 109.591 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.4 tt -49.77 -49.25 49.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.253 0.549 . . . . 4.0999999999999996 109.521 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 55.7 ttm-85 -52.26 -32.91 39.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 6.3200000000000003 109.9 178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 21' ' ' LEU . 66.6 mt -85.22 -30.76 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.319 -0.855 . . . . 3.3799999999999999 110.911 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 23' ' ' THR . 68.1 mtt -56.54 -51.67 67.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 4.3200000000000003 111.577 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 40.2 ptt180 -41.81 -27.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.564 0.221 . . . . 7.0700000000000003 111.528 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 18' ' ' ILE . 6.7 mp -70.81 69.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 5.0199999999999996 111.784 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 19.0 tp 67.01 10.9 8.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.413 0.894 . . . . 7.0 113.413 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' MET . 13.5 m -81.07 55.3 2.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.4 0.619 . . . . 6.8799999999999999 110.136 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 22' ' ' LEU . 8.2 mpt_? -62.78 -22.4 66.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.659 -0.7 . . . . 10.630000000000001 111.247 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.882 -0.58 . . . . 10.67 110.261 -178.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 3' ' ' ASP . 4.8 t-80 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.592 0.234 . . . . 10.210000000000001 110.893 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 2' ' ' VAL . 29.1 m -66.26 67.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 7.1399999999999997 111.346 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 1' ' ' HIS . 25.2 m-20 -60.27 -44.6 95.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 5.7800000000000002 110.376 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 56.4 -89.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.8 -0.636 . . . . 6.3600000000000003 109.74 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 7' ' ' ALA . 20.2 pttp -80.47 53.57 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 5.2300000000000004 109.423 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 6' ' ' VAL . 12.4 p -61.59 69.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 114.946 -1.025 . . . . 3.2599999999999998 111.669 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . 172.95 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.479 -0.782 . . . . 1.8400000000000001 109.429 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.69 -50.34 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 2.8500000000000001 110.746 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -57.9 -44.08 86.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 4.0099999999999998 110.988 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.47 -48.61 87.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.114 -0.699 . . . . 1.71 109.114 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 ' HE2' ' A' ' 14' ' ' LYS . 46.4 tp -52.94 -41.76 64.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.143 -0.935 . . . . 2.6899999999999999 108.69 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.0 tp -60.25 -48.11 83.15 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.012 -0.995 . . . . 2.77 109.952 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 82.1 mt -52.52 -56.28 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 2.27 111.388 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HE2' HD12 ' A' ' 11' ' ' LEU . 64.8 pttt -66.68 -44.12 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.83 -0.348 . . . . 3.8199999999999998 110.79 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -50.35 -48.9 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 3.98 110.018 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 12' ' ' LEU . 9.2 mp -60.37 -43.27 96.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.87 -0.605 . . . . 4.0999999999999996 109.89 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 99.8 mtt180 -56.13 -45.28 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.265 -0.643 . . . . 6.3200000000000003 109.265 178.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.453 ' HA ' HD11 ' A' ' 21' ' ' LEU . 87.1 mt -58.55 -40.62 79.48 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.477 -0.783 . . . . 3.3799999999999999 110.445 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.9 mtt -53.06 -37.11 61.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.438 -0.578 . . . . 4.3200000000000003 109.438 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' NE ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.88 29.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.479 -0.782 . . . . 7.0700000000000003 111.343 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.8 pp -168.88 33.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.121 0.486 . . . . 5.0199999999999996 111.085 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 tp 179.06 -49.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.68 -0.691 . . . . 7.0 110.341 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 23' ' ' THR . 7.2 m -83.94 36.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 6.8799999999999999 111.343 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.441 HH11 ' HG3' ' A' ' 24' ' ' ARG . 15.8 tpt85 -174.38 61.78 0.02 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.332 0.587 . . . . 10.630000000000001 110.846 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 pp . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.051 -0.976 . . . . 10.67 110.228 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.065 0.46 . . . . 10.210000000000001 111.211 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 2' ' ' VAL . 6.3 t -151.95 31.8 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.691 -0.686 . . . . 7.1399999999999997 109.172 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.84 ' O ' HG12 ' A' ' 6' ' ' VAL . 40.0 m-20 -80.92 140.64 35.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.345 -0.843 . . . . 5.7800000000000002 110.785 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -46.97 -45.73 21.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.398 0.618 . . . . 6.3600000000000003 109.884 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -84.38 43.72 0.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.423 -0.808 . . . . 5.2300000000000004 111.985 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 3' ' ' ASP . 6.5 p -124.95 111.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.079 0.466 . . . . 3.2599999999999998 110.854 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 69.88 -57.89 0.54 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.914 -0.585 . . . . 1.8400000000000001 111.313 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.729 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -44.05 -34.06 1.64 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.562 0.696 . . . . 2.8500000000000001 111.069 179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 18.5 ptpt -50.04 -40.99 46.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.31 -0.859 . . . . 4.0099999999999998 111.477 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.494 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 83.8 t -66.93 -60.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 113.21 0.818 . . . . 1.71 113.21 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.729 HD23 ' O ' ' A' ' 8' ' ' ASP . 1.7 pt? -60.44 -36.82 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.825 -0.75 . . . . 2.6899999999999999 111.069 -178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 8' ' ' ASP . 6.8 mp -49.68 -39.78 37.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 2.77 111.233 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -49.18 -29.92 6.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 2.27 111.831 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -111.83 -36.04 5.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 3.8199999999999998 110.724 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' NE2' HD12 ' A' ' 12' ' ' LEU . 8.4 tt0 -45.6 -44.7 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.892 -0.594 . . . . 3.98 111.185 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.16 -39.13 27.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.252 0.549 . . . . 4.0999999999999996 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -76.04 -43.5 43.63 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.574 -0.739 . . . . 6.3200000000000003 109.594 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.639 HG22 HD23 ' A' ' 21' ' ' LEU . 57.5 mt -55.95 -31.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.677 -0.692 . . . . 3.3799999999999999 109.923 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HG2' HH21 ' A' ' 20' ' ' ARG . 23.5 ttt -53.74 -19.21 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 4.3200000000000003 110.182 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.583 ' HE ' ' N ' ' A' ' 20' ' ' ARG . 1.7 mmp_? -81.35 6.41 14.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 7.0700000000000003 110.423 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.871 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.6 pp -60.25 -30.23 69.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.521 -0.763 . . . . 5.0199999999999996 109.567 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.871 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.2 tm? -169.27 135.05 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.933 -1.031 . . . . 7.0 108.86 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.662 ' N ' HD13 ' A' ' 22' ' ' LEU . 6.0 t -167.81 48.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.375 0.607 . . . . 6.8799999999999999 110.551 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 2.9 mmp_? -95.71 122.84 38.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.73 -0.668 . . . . 10.630000000000001 109.545 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 10.67 109.817 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.948 0.404 . . . . 10.210000000000001 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 2' ' ' VAL . 33.9 m -144.25 44.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.375 -0.972 . . . . 7.1399999999999997 108.375 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -160.23 45.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.344 -1.298 . . . . 5.7800000000000002 110.395 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -158.27 -54.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.027 -0.533 . . . . 6.3600000000000003 110.199 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -82.09 -40.11 22.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.402 0.62 . . . . 5.2300000000000004 109.689 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 14.8 m -47.33 116.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.132 -0.94 . . . . 3.2599999999999998 111.84 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 75.02 -58.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.231 -0.895 . . . . 1.8400000000000001 111.647 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 39.3 m-20 -49.22 -40.97 35.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.958 0.408 . . . . 2.8500000000000001 110.435 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -54.24 -41.68 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.517 -0.549 . . . . 4.0099999999999998 109.517 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.83 -44.92 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.643 -0.873 . . . . 1.71 108.643 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 11' ' ' LEU . 1.7 tt -59.25 -39.51 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.389 -0.823 . . . . 2.6899999999999999 109.199 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.42 -38.96 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.862 -0.608 . . . . 2.77 110.12 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.31 -50.83 68.59 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.692 -0.484 . . . . 2.27 109.692 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ARG . 28.2 ttpp -66.14 -41.72 90.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 3.8199999999999998 109.237 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -56.42 -35.7 68.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.356 -0.838 . . . . 3.98 110.171 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 16' ' ' LEU . 2.9 tm? -47.98 -43.14 29.31 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.154 -0.684 . . . . 4.0999999999999996 109.154 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' LYS . 24.0 ttt180 -60.03 -47.2 86.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 6.3200000000000003 109.522 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -54.61 -44.88 71.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 3.3799999999999999 109.525 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.09 -43.78 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.531 -0.759 . . . . 4.3200000000000003 110.26 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.726 ' O ' HG23 ' A' ' 23' ' ' THR . 64.9 ttp85 -57.84 -45.93 85.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 7.0700000000000003 110.211 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.64 -42.09 64.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.88 -0.6 . . . . 5.0199999999999996 110.323 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 tp -75.52 42.08 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 7.0 111.18 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 20' ' ' ARG . 19.9 p -53.69 -48.78 69.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 6.8799999999999999 110.268 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 173.04 -37.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.155 -0.929 . . . . 10.630000000000001 109.894 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' C ' HD13 ' A' ' 25' ' ' LEU . 2.0 tm? . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.433 -0.794 . . . . 10.67 109.345 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.459 ' CD2' HG22 ' A' ' 2' ' ' VAL . 7.5 p-80 . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 109.742 -0.466 . . . . 10.210000000000001 109.742 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 1' ' ' HIS . 28.3 m 41.63 39.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 121.495 0.664 . . . . 7.1399999999999997 110.209 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.37 145.13 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.017 -0.992 . . . . 5.7800000000000002 111.324 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 mttt 64.25 -160.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 6.3600000000000003 110.346 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 40.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.17 0.509 . . . . 5.2300000000000004 109.699 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 7.1 p -50.65 112.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.692 -0.685 . . . . 3.2599999999999998 110.551 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 75.5 -47.26 0.59 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.581 -0.736 . . . . 1.8400000000000001 110.48 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' O ' HD13 ' A' ' 12' ' ' LEU . 55.0 m-20 -49.41 -39.97 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.469 . . . . 2.8500000000000001 110.241 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -52.64 -49.55 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.919 -0.582 . . . . 4.0099999999999998 110.307 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.12 -45.71 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.505 -0.771 . . . . 1.71 110.498 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 tp -54.36 -48.74 71.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 2.6899999999999999 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 8' ' ' ASP . 11.1 mp -66.41 -59.95 3.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 2.77 111.993 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.905 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -50.96 -43.09 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 2.27 110.748 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.905 ' N ' HD12 ' A' ' 13' ' ' LEU . 27.7 ttpp -71.73 -42.45 67.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.333 0.587 . . . . 3.8199999999999998 110.482 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -57.08 -43.27 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 3.98 110.706 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 91.5 mt -44.67 -29.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 4.0999999999999996 111.337 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -104.06 -51.81 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.691 0.282 . . . . 6.3200000000000003 111.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' A' ' 14' ' ' LYS . 31.9 mt -53.77 -30.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 3.3799999999999999 110.978 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.9 ttt -43.57 -31.65 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 4.3200000000000003 111.134 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 20' ' ' ARG . 27.3 tpt180 -169.73 38.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 7.0700000000000003 110.417 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.647 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER 32.96 37.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.741 0.781 . . . . 5.0199999999999996 110.88 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 22' ' ' LEU . 2.9 tm? 175.88 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.37 -1.344 . . . . 7.0 107.37 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.512 ' O ' HD13 ' A' ' 22' ' ' LEU . 13.2 m 59.12 145.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.677 -1.147 . . . . 6.8799999999999999 112.924 177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -76.52 52.17 0.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.874 -0.787 . . . . 10.630000000000001 108.874 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.645 ' C ' HD13 ' A' ' 25' ' ' LEU . 2.8 tm? . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.307 -0.854 . . . . 10.67 109.942 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.92 0.391 . . . . 10.210000000000001 110.542 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.7 t -69.83 141.67 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.001 -0.545 . . . . 7.1399999999999997 110.771 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -179.0 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.147 0.498 . . . . 5.7800000000000002 110.61 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -157.81 -54.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.907 -0.588 . . . . 6.3600000000000003 109.64 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -58.57 -57.07 14.6 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.738 -0.467 . . . . 5.2300000000000004 109.738 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 6' ' ' VAL . 61.4 t -75.66 56.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 3.2599999999999998 110.701 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.74 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.447 -0.797 . . . . 1.8400000000000001 108.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 11.6 t70 -70.53 -51.22 30.28 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.931 -1.031 . . . . 2.8500000000000001 109.584 178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.44 -39.5 85.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.938 -0.764 . . . . 4.0099999999999998 108.938 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.32 -56.38 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 114.953 -1.021 . . . . 1.71 111.263 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.779 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.2 pp -58.87 -34.8 72.02 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.664 -0.414 . . . . 2.6899999999999999 109.949 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.779 ' N ' HD12 ' A' ' 11' ' ' LEU . 4.7 tt -64.07 -59.49 4.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.466 . . . . 2.77 111.102 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.894 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -63.43 -38.64 91.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.18 0.514 . . . . 2.27 110.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.894 ' N ' HD12 ' A' ' 13' ' ' LEU . 48.5 tttp -61.98 -50.55 71.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.775 -0.648 . . . . 3.8199999999999998 109.841 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HA ' HD12 ' A' ' 18' ' ' ILE . 8.3 tt0 -48.96 -45.29 41.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.252 -0.885 . . . . 3.98 110.508 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.67 -49.29 65.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.272 0.558 . . . . 4.0999999999999996 109.564 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG2' HD12 ' A' ' 21' ' ' LEU . 58.3 ttp180 -65.44 -38.51 90.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.689 -0.687 . . . . 6.3200000000000003 110.364 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 15' ' ' GLN . 85.1 mt -57.26 -46.9 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 3.3799999999999999 110.037 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.1 tpt -69.26 -51.47 37.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 4.3200000000000003 110.27 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -55.13 -35.77 65.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 7.0700000000000003 110.278 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 17' ' ' ARG . 88.7 mt -108.27 31.32 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.714 -0.676 . . . . 5.0199999999999996 110.291 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' THR . 61.4 tp -56.96 -48.21 78.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.338 0.59 . . . . 7.0 109.54 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 22' ' ' LEU . 45.6 p -161.06 130.77 4.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.085 -0.961 . . . . 6.8799999999999999 109.621 178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -60.09 -34.95 74.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 10.630000000000001 109.889 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.5 pp . . . . . 0 C--O 1.254 1.312 0 CA-C-O 118.119 -0.943 . . . . 10.67 110.302 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.911 0.386 . . . . 10.210000000000001 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 2' ' ' VAL . 11.1 p -73.46 56.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 7.1399999999999997 110.903 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.57 -157.95 0.02 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.161 -0.472 . . . . 5.7800000000000002 110.415 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 6' ' ' VAL . 22.9 tptm 66.07 140.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.987 0.422 . . . . 6.3600000000000003 110.584 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 22.3 pttp 48.31 23.91 0.63 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.174 0.512 . . . . 5.2300000000000004 111.075 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 4' ' ' LYS . 79.9 t -108.94 49.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.731 0.777 . . . . 3.2599999999999998 109.425 178.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.84 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.863 -1.062 . . . . 1.8400000000000001 109.39 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.67 -58.29 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.764 . . . . 2.8500000000000001 110.39 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.6 -44.22 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 4.0099999999999998 110.277 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.14 -54.43 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.968 -0.56 . . . . 1.71 110.088 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.09 -37.39 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.121 -0.491 . . . . 2.6899999999999999 109.769 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -53.0 -46.19 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 2.77 109.851 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.25 -27.64 67.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.664 -0.698 . . . . 2.27 110.483 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -72.1 -49.88 32.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 3.8199999999999998 110.298 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 16' ' ' LEU . 20.9 pt20 -73.63 -36.6 65.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.322 -0.853 . . . . 3.98 111.247 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 15' ' ' GLN . 64.9 tp -22.76 -61.61 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 4.0999999999999996 112.681 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -56.19 -52.02 65.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 6.3200000000000003 111.187 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLN . 52.0 mt -58.89 -41.44 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 3.3799999999999999 109.984 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.537 ' C ' ' SD ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -52.78 -36.31 57.98 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.342 -0.614 . . . . 4.3200000000000003 109.342 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' THR . 41.0 ttp180 -65.0 -44.53 88.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.965 -0.754 . . . . 7.0700000000000003 108.965 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -64.45 -28.79 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 5.0199999999999996 109.763 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.28 -10.29 15.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.275 -0.875 . . . . 7.0 111.176 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 20' ' ' ARG . 69.6 p -66.3 -149.12 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 120.832 0.348 . . . . 6.8799999999999999 110.263 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -105.59 -10.09 17.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.353 0.597 . . . . 10.630000000000001 109.852 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 25' ' ' LEU . 5.6 tt . . . . . 0 C--O 1.248 0.995 0 CA-C-N 114.951 -1.022 . . . . 10.67 109.077 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.688 0.28 . . . . 10.210000000000001 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -171.05 133.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 7.1399999999999997 109.579 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.42 135.65 57.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.078 0.466 . . . . 5.7800000000000002 111.112 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 62.8 pttt -148.37 -49.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.473 -0.785 . . . . 6.3600000000000003 109.313 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.657 ' C ' ' H ' ' A' ' 7' ' ' ALA . 27.4 mmtm -63.43 -33.95 76.68 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.301 -0.629 . . . . 5.2300000000000004 109.301 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 6' ' ' VAL . 17.8 t -70.01 21.81 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-O 121.799 0.809 . . . . 3.2599999999999998 109.633 177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.657 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -146.37 -41.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.706 -1.134 . . . . 1.8400000000000001 108.138 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.82 -44.05 66.4 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 109.168 -0.679 . . . . 2.8500000000000001 109.168 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.7 -17.84 1.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.377 -0.829 . . . . 4.0099999999999998 110.989 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.25 -51.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 1.71 110.343 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' CD ' ' A' ' 15' ' ' GLN . 4.2 mm? -57.19 -50.26 73.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 2.6899999999999999 111.098 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.792 ' HG ' HD22 ' A' ' 16' ' ' LEU . 7.2 mp -53.84 -24.44 15.65 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.343 0.497 . . . . 2.77 112.343 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.9 mt -51.7 -20.2 1.97 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.871 0.367 . . . . 2.27 110.763 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB2' HD12 ' A' ' 18' ' ' ILE . 18.9 ptpt -156.3 -44.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 3.8199999999999998 110.601 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' CD ' HD12 ' A' ' 11' ' ' LEU . 36.8 tt0 -73.0 54.74 0.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 3.98 111.225 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.792 HD22 ' HG ' ' A' ' 12' ' ' LEU . 61.9 tp -158.11 -72.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.976 -0.75 . . . . 4.0999999999999996 108.976 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -60.53 -50.16 74.67 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.197 -0.668 . . . . 6.3200000000000003 109.197 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.851 HG22 HG22 ' A' ' 23' ' ' THR . 64.7 mt -49.09 -41.08 13.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.261 -0.644 . . . . 3.3799999999999999 109.261 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -66.3 -43.43 86.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.379 -0.828 . . . . 4.3200000000000003 109.784 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 22' ' ' LEU . 41.2 ttt85 -55.08 -42.81 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.462 -0.57 . . . . 7.0700000000000003 109.462 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 21' ' ' LEU . 3.4 mm? -79.65 30.03 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 5.0199999999999996 109.903 178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' ARG . 28.3 tp 44.9 35.68 1.61 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.831 -0.622 . . . . 7.0 110.602 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.851 HG22 HG22 ' A' ' 18' ' ' ILE . 21.0 p 43.21 39.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 6.8799999999999999 110.937 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -73.81 40.97 0.12 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.778 -0.646 . . . . 10.630000000000001 111.58 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.849 HD11 HG23 ' A' ' 18' ' ' ILE . 8.2 mp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.025 -0.988 . . . . 10.67 110.195 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 110.048 -0.353 . . . . 10.210000000000001 110.048 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.547 ' HB ' HG21 ' A' ' 6' ' ' VAL . 30.4 m -50.37 137.21 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 O-C-N 123.186 0.304 . . . . 7.1399999999999997 111.213 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 4' ' ' LYS . 48.4 p-10 -163.63 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 5.7800000000000002 111.324 -179.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' VAL . 7.1 ttpm? -131.89 149.52 52.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.66 -0.245 . . . . 6.3600000000000003 110.557 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 7' ' ' ALA . 38.5 ttpt 69.96 -20.96 0.18 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 5.2300000000000004 110.881 -179.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.648 ' O ' HG22 ' A' ' 6' ' ' VAL . 8.5 p -71.41 40.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.513 0.673 . . . . 3.2599999999999998 111.188 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -160.91 -45.31 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.596 -0.729 . . . . 1.8400000000000001 109.18 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 10' ' ' VAL . 48.8 m-20 -55.71 -41.74 74.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.312 -0.625 . . . . 2.8500000000000001 109.312 178.719 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -70.2 28.12 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.711 -0.677 . . . . 4.0099999999999998 110.778 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 8' ' ' ASP . 54.1 t -150.0 -46.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.758 -1.201 . . . . 1.71 107.758 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? -59.22 -48.09 82.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.77 -1.104 . . . . 2.6899999999999999 109.038 177.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 14' ' ' LYS . 94.3 mt -55.1 -43.54 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.9 -0.778 . . . . 2.77 108.9 178.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.66 37.2 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.249 -0.887 . . . . 2.27 110.272 178.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 12' ' ' LEU . 22.7 tptm -160.04 -47.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.538 -0.756 . . . . 3.8199999999999998 109.33 -179.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 19' ' ' MET . 53.6 tt0 -55.87 -35.46 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 3.98 109.55 178.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.7 tt -51.56 -56.0 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 4.0999999999999996 110.296 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 11.5 ptp180 -62.2 -31.06 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.176 0.512 . . . . 6.3200000000000003 109.747 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 79.6 mt -72.93 -27.98 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.029 -0.532 . . . . 3.3799999999999999 110.115 178.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.466 ' SD ' HD12 ' A' ' 22' ' ' LEU . 16.5 tpt -47.75 -47.19 30.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 4.3200000000000003 111.586 -179.134 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HD2' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.4 -25.47 35.86 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.476 -0.49 . . . . 7.0700000000000003 111.105 -179.72 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 56.0 tp -68.14 -32.75 73.25 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.093 -0.706 . . . . 5.0199999999999996 109.093 178.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' A' ' 19' ' ' MET . 59.4 mt -74.28 46.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.223 -0.899 . . . . 7.0 110.509 179.465 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p 52.22 81.2 0.08 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.942 -0.572 . . . . 6.8799999999999999 111.261 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 8.2 ttp-105 -65.13 -32.17 73.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 10.630000000000001 109.927 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.971 -1.014 . . . . 10.67 111.168 -179.967 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.482 ' O ' ' ND1' ' A' ' 1' ' ' HIS . 16.7 p80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.486 0.184 . . . . 10.210000000000001 110.688 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.546 HG23 ' HE2' ' A' ' 4' ' ' LYS . 23.7 m -113.64 46.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.105 0.479 . . . . 7.1399999999999997 111.139 -179.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 21.2 t70 60.02 -136.11 0.73 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.685 -0.688 . . . . 5.7800000000000002 110.631 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' HE2' HG23 ' A' ' 2' ' ' VAL . 53.2 mtmt 52.1 -131.94 2.01 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.557 0.218 . . . . 6.3600000000000003 110.471 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 7' ' ' ALA . 34.4 mmtp -51.35 -38.43 53.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 5.2300000000000004 110.525 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.37 43.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.458 0.647 . . . . 3.2599999999999998 110.336 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -174.43 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.05 -0.977 . . . . 1.8400000000000001 109.023 -179.656 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.61 -45.78 14.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.24 -0.891 . . . . 2.8500000000000001 110.896 179.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -52.14 -49.92 62.77 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.555 -0.293 . . . . 4.0099999999999998 110.949 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 11' ' ' LEU . 7.2 p -54.38 -42.8 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.192 0.52 . . . . 1.71 110.131 179.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 11' ' ' LEU . 4.9 tt -63.67 -47.9 79.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.695 -0.684 . . . . 2.6899999999999999 109.94 179.288 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.11 -47.79 84.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 2.77 111.107 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -53.93 -47.29 71.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.071 0.462 . . . . 2.27 110.544 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -67.78 -48.39 66.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 3.8199999999999998 109.957 179.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -53.54 -41.44 66.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.425 -0.807 . . . . 3.98 110.453 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 tp -49.0 -41.41 34.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 4.0999999999999996 109.837 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -72.16 -42.23 66.15 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.864 -0.607 . . . . 6.3200000000000003 109.954 179.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 38.5 mm -52.72 -52.55 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 N-CA-C 109.145 -0.687 . . . . 3.3799999999999999 109.145 179.302 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -76.52 40.85 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 4.3200000000000003 110.016 178.07 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -144.86 -58.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 7.0700000000000003 109.459 179.705 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 18' ' ' ILE . 2.6 pt? -68.88 -41.44 78.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.444 -0.947 . . . . 5.0199999999999996 108.444 178.403 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 69.4 mt -87.34 43.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.591 -0.731 . . . . 7.0 109.159 178.011 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 m -154.36 135.91 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.587 -0.733 . . . . 6.8799999999999999 110.873 -178.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 168.51 -34.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 10.630000000000001 110.001 -179.707 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' OXT' HD13 ' A' ' 25' ' ' LEU . 2.3 tm? . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.841 -1.076 . . . . 10.67 109.308 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.485 0.183 . . . . 10.210000000000001 111.285 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.3 m -57.1 -38.63 61.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.409 . . . . 7.1399999999999997 110.374 -179.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.2 t70 70.96 -54.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.296 -0.865 . . . . 5.7800000000000002 111.653 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -107.18 144.04 34.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 6.3600000000000003 110.249 179.429 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' A' ' 7' ' ' ALA . 4.7 ttmp? 70.56 34.44 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.478 0.656 . . . . 5.2300000000000004 109.532 -178.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.22 7.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.331 -0.85 . . . . 3.2599999999999998 111.296 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -94.25 -60.1 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.124 -0.695 . . . . 1.8400000000000001 109.124 178.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -69.45 -47.67 63.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 2.8500000000000001 109.811 178.349 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.9 mtpp -74.6 38.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 4.0099999999999998 111.147 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 8' ' ' ASP . 74.0 t -160.32 -52.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.314 -0.857 . . . . 1.71 109.047 179.105 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -51.32 -46.96 62.76 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.553 -0.749 . . . . 2.6899999999999999 109.833 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.0 mp -72.4 -41.57 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.797 -0.638 . . . . 2.77 110.695 179.197 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 mt -51.28 -42.3 61.02 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.077 -0.712 . . . . 2.27 109.077 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 16' ' ' LEU . 22.7 tptm -79.72 -62.06 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.493 -0.776 . . . . 3.8199999999999998 109.09 178.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER 67.98 -41.13 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.008 0.744 . . . . 3.98 113.008 178.247 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 16' ' ' LEU . 4.9 tt -28.34 -62.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.539 0.57 . . . . 4.0999999999999996 112.539 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -49.13 -43.6 41.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 6.3200000000000003 111.379 -179.01 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' GLN . 63.5 mt -70.02 -42.08 79.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.1 0.476 . . . . 3.3799999999999999 110.198 179.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.572 ' CG ' HG22 ' A' ' 23' ' ' THR . 47.3 ttm -48.88 -36.41 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 4.3200000000000003 109.92 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 16.5 mtm105 -57.04 -43.41 81.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.952 -0.567 . . . . 7.0700000000000003 110.186 179.159 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 21' ' ' LEU . 6.4 mp -69.39 -40.18 77.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.555 -0.748 . . . . 5.0199999999999996 109.802 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 tp -174.65 127.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.315 -0.857 . . . . 7.0 110.186 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.572 HG22 ' CG ' ' A' ' 19' ' ' MET . 64.4 p -71.0 -54.53 10.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.367 0.604 . . . . 6.8799999999999999 110.078 179.261 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 48.9 ttm-85 50.6 37.14 15.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.378 -0.828 . . . . 10.630000000000001 109.948 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 25' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.155 -0.926 . . . . 10.67 110.436 179.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.448 ' O ' ' ND1' ' A' ' 1' ' ' HIS . 30.4 t-80 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 111.617 0.229 . . . . 10.210000000000001 111.617 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.5 41.69 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.989 0.423 . . . . 7.1399999999999997 110.634 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 1' ' ' HIS . 1.4 m-20 -47.72 -41.95 24.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 5.7800000000000002 111.557 -179.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -151.94 -39.55 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 6.3600000000000003 111.677 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.584 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -174.8 129.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.03 0.443 . . . . 5.2300000000000004 111.607 -178.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.517 ' O ' HG22 ' A' ' 6' ' ' VAL . 13.8 p -124.36 42.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.729 0.776 . . . . 3.2599999999999998 109.737 179.711 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.718 ' O ' HG12 ' A' ' 10' ' ' VAL . . . -168.89 -39.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.991 -1.004 . . . . 1.8400000000000001 109.728 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -51.06 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 2.8500000000000001 110.267 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -74.52 48.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 4.0099999999999998 111.693 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 7' ' ' ALA . 4.0 p -178.21 -35.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.142 -0.688 . . . . 1.71 109.142 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.618 ' C ' HD13 ' A' ' 11' ' ' LEU . 2.6 tm? -56.29 -46.44 79.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.892 -1.049 . . . . 2.6899999999999999 110.128 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -61.35 -47.51 85.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.409 -0.359 . . . . 2.77 110.799 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.26 -54.26 33.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.12 0.486 . . . . 2.27 109.778 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.42 -40.96 96.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.916 -0.583 . . . . 3.8199999999999998 110.118 179.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -52.52 -33.78 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.4 -0.818 . . . . 3.98 110.451 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.8 tt -50.34 -49.13 54.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.99 0.424 . . . . 4.0999999999999996 110.485 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.3 mtt85 -60.69 -51.73 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 6.3200000000000003 110.514 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.7 mt -57.84 -36.15 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.868 -0.605 . . . . 3.3799999999999999 109.838 179.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.556 ' HG3' HD12 ' A' ' 25' ' ' LEU . 57.2 ttp -66.3 -49.88 65.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.4 -0.818 . . . . 4.3200000000000003 110.322 179.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -57.92 -40.07 79.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.639 -0.874 . . . . 7.0700000000000003 108.639 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 tp -75.49 43.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.999 -1.0 . . . . 5.0199999999999996 110.032 179.027 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.981 HD23 HD11 ' A' ' 25' ' ' LEU . 56.5 tp -172.8 -46.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 7.0 109.859 -179.58 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 24' ' ' ARG . 20.5 m 63.15 157.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 6.8799999999999999 111.521 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' N ' HG22 ' A' ' 23' ' ' THR . 95.1 mtt180 74.62 55.35 0.08 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.046 -0.525 . . . . 10.630000000000001 110.799 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.981 HD11 HD23 ' A' ' 22' ' ' LEU . 89.8 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.972 -1.013 . . . . 10.67 110.042 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.4 m170 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.527 -0.175 . . . . 10.210000000000001 110.527 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m 45.22 38.66 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 O-C-N 123.746 0.654 . . . . 7.1399999999999997 110.92 -179.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -170.69 148.91 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.45 -0.796 . . . . 5.7800000000000002 108.877 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt 67.05 -173.26 0.19 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.125 -0.324 . . . . 6.3600000000000003 110.125 -178.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' A' ' 7' ' ' ALA . 34.5 mtmm -74.11 42.95 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.64 -0.255 . . . . 5.2300000000000004 111.388 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 6' ' ' VAL . 14.8 p -73.04 36.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 3.2599999999999998 111.297 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . 174.87 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.8400000000000001 110.628 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -43.15 -45.97 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.8500000000000001 110.986 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 12' ' ' LEU . 88.4 tttt -58.83 -44.34 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.986 0.422 . . . . 4.0099999999999998 110.077 179.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.37 -45.83 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.007 -0.738 . . . . 1.71 109.007 178.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 59.8 tp -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.172 -0.922 . . . . 2.6899999999999999 109.236 178.188 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 32.3 tp -60.1 -48.31 82.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.32 -0.855 . . . . 2.77 110.124 179.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 16' ' ' LEU . 93.7 mt -56.11 -41.93 76.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.904 -0.589 . . . . 2.27 112.415 -179.497 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 13.7 ptmm? -71.94 -37.52 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.362 -0.535 . . . . 3.8199999999999998 111.507 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' ILE . 3.0 pt20 -76.82 -36.69 56.72 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.198 -0.201 . . . . 3.98 111.496 -179.424 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 28.7 mt -42.25 -50.53 4.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.698 0.285 . . . . 4.0999999999999996 111.565 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' HD11 ' A' ' 21' ' ' LEU . 14.0 ptm180 -65.58 -42.08 92.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 6.3200000000000003 110.401 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 15' ' ' GLN . 76.6 mt -51.99 -31.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 3.3799999999999999 110.364 179.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.1 mmt -49.28 -21.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.688 -0.687 . . . . 4.3200000000000003 111.379 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.97 36.9 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.833 0.349 . . . . 7.0700000000000003 111.769 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 21' ' ' LEU . 13.4 mt -81.96 -33.2 30.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.422 . . . . 5.0199999999999996 110.074 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.4 mm? 55.46 17.85 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.826 -0.624 . . . . 7.0 109.854 -178.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.0 p -82.01 -121.73 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.215 -0.902 . . . . 6.8799999999999999 109.95 179.331 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -169.48 36.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.747 0.308 . . . . 10.630000000000001 111.198 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.255 -0.879 . . . . 10.67 111.128 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.568 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 30.4 t60 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 10.210000000000001 111.479 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.0 t -60.6 108.51 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.402 -0.592 . . . . 7.1399999999999997 109.402 178.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.615 ' HB2' HG23 ' A' ' 6' ' ' VAL . 48.1 m-20 -55.12 126.42 24.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.698 -0.482 . . . . 5.7800000000000002 109.698 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -51.01 -42.94 60.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 6.3600000000000003 110.964 -179.099 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' HG2' ' HB3' ' A' ' 3' ' ' ASP . 58.6 pttt -53.13 -30.52 37.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 5.2300000000000004 111.17 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.615 HG23 ' HB2' ' A' ' 3' ' ' ASP . 90.7 t -48.22 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 121.18 0.514 . . . . 3.2599999999999998 111.114 -179.783 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 6' ' ' VAL . . . 72.93 -52.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.431 -0.804 . . . . 1.8400000000000001 111.543 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -50.25 -43.37 53.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.251 0.548 . . . . 2.8500000000000001 109.568 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -48.97 -40.21 29.55 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.733 -0.667 . . . . 4.0099999999999998 109.881 179.168 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.1 t -59.85 -40.19 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.674 -0.693 . . . . 1.71 109.56 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.95 -42.3 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 2.6899999999999999 109.806 178.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.69 -54.35 48.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 2.77 110.702 179.226 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.895 HD12 ' N ' ' A' ' 14' ' ' LYS . 4.2 pp -64.89 -41.92 95.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 2.27 110.602 -179.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.895 ' N ' HD12 ' A' ' 13' ' ' LEU . 16.4 tppt? -64.63 -37.66 88.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.13 0.49 . . . . 3.8199999999999998 110.412 179.616 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -74.93 -28.26 60.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.606 -0.725 . . . . 3.98 110.246 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.1 tt -38.29 -55.61 1.32 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 4.0999999999999996 110.831 -179.624 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 21' ' ' LEU . 37.5 ptt180 -54.86 -42.42 72.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 6.3200000000000003 110.694 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.7 mt -56.29 -30.88 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 3.3799999999999999 110.723 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 16' ' ' LEU . 56.6 mtt -59.01 -36.92 75.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 4.3200000000000003 111.556 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -170.54 49.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.727 0.298 . . . . 7.0700000000000003 110.673 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -43.3 -40.03 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 5.0199999999999996 111.141 -179.203 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.2 tp -169.08 113.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.146 -0.479 . . . . 7.0 110.38 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 m -164.0 -45.62 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.616 -0.72 . . . . 6.8799999999999999 109.513 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.457 HH11 ' HG3' ' A' ' 24' ' ' ARG . 30.2 ttt85 -72.54 136.28 45.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.797 -0.638 . . . . 10.630000000000001 110.485 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.0 pp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.704 -0.665 . . . . 10.67 109.814 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.5 m80 . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.28 0.562 . . . . 10.210000000000001 110.482 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.555 ' HA ' HG21 ' A' ' 6' ' ' VAL . 9.4 p 170.63 -35.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.798 -1.186 . . . . 7.1399999999999997 107.798 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -58.43 -24.67 60.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 113.388 -1.733 . . . . 5.7800000000000002 111.823 179.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -149.05 143.45 26.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.902 0.382 . . . . 6.3600000000000003 111.406 -178.549 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 57.26 41.1 27.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.801 -0.636 . . . . 5.2300000000000004 111.155 179.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 6' ' ' VAL . 80.7 t -146.52 57.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.766 0.794 . . . . 3.2599999999999998 110.174 179.242 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.87 -50.69 0.31 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.884 -1.053 . . . . 1.8400000000000001 108.661 179.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -58.32 -47.77 82.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.367 -0.975 . . . . 2.8500000000000001 108.367 177.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -61.33 -45.87 92.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.119 -0.946 . . . . 4.0099999999999998 109.975 178.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.44 -39.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.699 -0.682 . . . . 1.71 109.989 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.1 tp -76.84 -41.93 42.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.701 -0.681 . . . . 2.6899999999999999 109.88 178.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.38 -46.87 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.025 -0.989 . . . . 2.77 112.232 -179.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.974 HD12 ' N ' ' A' ' 14' ' ' LYS . 3.9 pp -58.91 -40.02 83.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.23 0.456 . . . . 2.27 112.23 -178.359 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.974 ' N ' HD12 ' A' ' 13' ' ' LEU . 62.7 pttt -82.99 35.62 0.48 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.686 -0.406 . . . . 3.8199999999999998 112.002 -179.383 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' A' ' 16' ' ' LEU . 19.6 pt20 -167.74 -54.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.411 -0.359 . . . . 3.98 110.648 178.765 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.74 HD12 ' SD ' ' A' ' 19' ' ' MET . 60.9 tp -48.25 -51.93 23.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 4.0999999999999996 110.053 179.661 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -49.54 -39.23 33.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.866 -0.606 . . . . 6.3200000000000003 109.863 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.5 mt -72.74 -47.67 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.52 -0.764 . . . . 3.3799999999999999 110.877 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.74 ' SD ' HD12 ' A' ' 16' ' ' LEU . 8.1 ptm -55.32 -27.8 49.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.205 -0.452 . . . . 4.3200000000000003 110.172 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -48.35 -42.36 31.24 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.44 -0.948 . . . . 7.0700000000000003 108.44 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.0 mt -89.59 -54.7 3.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.202 -0.908 . . . . 5.0199999999999996 109.023 178.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.651 HD12 HD22 ' A' ' 25' ' ' LEU . 2.9 mm? -79.07 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.397 -0.82 . . . . 7.0 110.199 178.876 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 m -55.26 -31.72 61.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 6.8799999999999999 110.553 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.0 mtt85 -155.23 -47.74 0.08 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.216 -0.902 . . . . 10.630000000000001 109.88 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.651 HD22 HD12 ' A' ' 22' ' ' LEU . 33.6 tp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 117.922 -1.037 . . . . 10.67 110.373 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.6 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 2.7 p-80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.091 0.472 . . . . 10.210000000000001 110.814 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.33 -39.7 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 7.1399999999999997 110.773 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.901 ' O ' HG22 ' A' ' 6' ' ' VAL . 63.9 t0 -60.81 129.84 43.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.838 -0.619 . . . . 5.7800000000000002 110.872 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 4' ' ' LYS . 9.7 mtmp? -58.78 -29.2 66.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 6.3600000000000003 110.96 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' ALA . 59.7 mtpt -61.41 -23.17 65.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.85 -0.613 . . . . 5.2300000000000004 110.936 -179.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 3' ' ' ASP . 5.4 m -72.96 35.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.282 -0.417 . . . . 3.2599999999999998 110.731 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' LYS . . . -169.47 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.8400000000000001 111.179 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 9' ' ' LYS . 50.4 p-10 -51.98 -41.34 62.08 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.733 0.302 . . . . 2.8500000000000001 110.626 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HD3' HD11 ' A' ' 12' ' ' LEU . 4.0 tppp? -65.72 -46.67 78.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.227 0.536 . . . . 4.0099999999999998 109.689 179.372 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.39 -41.01 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 1.71 109.881 179.185 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.1 tp -62.2 -58.19 8.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.546 -0.752 . . . . 2.6899999999999999 110.475 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 13' ' ' LEU . 4.5 pp -57.31 -38.13 73.55 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.787 -0.449 . . . . 2.77 109.787 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.708 ' N ' HD12 ' A' ' 12' ' ' LEU . 41.7 mt -61.68 -35.08 76.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.105 0.479 . . . . 2.27 110.245 178.28 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 17' ' ' ARG . 57.1 tttm -73.5 -54.4 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 3.8199999999999998 110.623 179.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG2' ' HA ' ' A' ' 12' ' ' LEU . 3.6 pt20 -72.54 -9.51 58.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.596 . . . . 3.98 110.722 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.1 tp -42.85 -49.89 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.851 0.358 . . . . 4.0999999999999996 110.649 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 14' ' ' LYS . 5.5 ptp85 -51.85 -40.01 59.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.658 -0.497 . . . . 6.3200000000000003 109.658 179.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLN . 57.5 mt -68.38 -43.2 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.93 -0.577 . . . . 3.3799999999999999 109.456 178.391 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.2 mtt -55.55 -34.43 64.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.448 0.642 . . . . 4.3200000000000003 109.504 178.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.57 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 5.6 mmp_? -106.56 32.48 4.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.392 -0.822 . . . . 7.0700000000000003 110.266 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.937 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.6 pp -55.1 -39.32 69.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 5.0199999999999996 109.863 179.175 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.937 ' N ' HD12 ' A' ' 21' ' ' LEU . 50.6 mt -166.9 -60.21 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.053 -0.976 . . . . 7.0 109.082 178.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -175.75 133.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.884 -1.053 . . . . 6.8799999999999999 109.982 179.922 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 30.4 tpt85 -174.56 42.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.026 0.441 . . . . 10.630000000000001 110.824 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 25' ' ' LEU . 3.8 tt . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.963 -1.018 . . . . 10.67 109.914 179.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 84.2 t60 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.563 0.22 . . . . 10.210000000000001 110.953 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 36.0 m -70.53 119.77 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 7.1399999999999997 111.944 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.689 ' N ' ' HB2' ' A' ' 7' ' ' ALA . 2.4 p30 179.44 158.44 0.64 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.616 -0.72 . . . . 5.7800000000000002 109.356 179.176 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' CG ' ' H ' ' A' ' 5' ' ' LYS . 65.8 tttt 57.49 -134.52 1.16 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.745 -0.465 . . . . 6.3600000000000003 109.745 -179.416 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -63.22 -42.22 99.24 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.582 -0.525 . . . . 5.2300000000000004 109.582 179.11 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 6' ' ' VAL . 60.2 t -75.43 55.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-O 121.882 0.848 . . . . 3.2599999999999998 109.965 178.812 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.689 ' HB2' ' N ' ' A' ' 3' ' ' ASP . . . -175.19 -45.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 107.128 -1.434 . . . . 1.8400000000000001 107.128 -179.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 10' ' ' VAL . 64.1 t0 -71.58 -56.1 6.51 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 107.367 -1.346 . . . . 2.8500000000000001 107.367 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CE ' HD21 ' A' ' 12' ' ' LEU . 2.4 tpmt? -79.81 41.53 0.5 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.065 -0.97 . . . . 4.0099999999999998 108.977 177.093 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.419 ' H ' ' C ' ' A' ' 8' ' ' ASP . 93.2 t -150.03 -51.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.288 -0.869 . . . . 1.71 109.509 -179.478 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.634 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.3 tt -54.76 -43.99 73.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.665 -0.698 . . . . 2.6899999999999999 109.235 178.752 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 13' ' ' LEU . 3.6 pp -64.59 -29.42 70.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 2.77 111.478 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 12' ' ' LEU . 91.5 mt -59.11 -44.06 91.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.241 0.544 . . . . 2.27 109.911 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 16' ' ' LEU . 33.8 mmtp -89.31 -52.5 5.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 3.8199999999999998 110.439 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.828 HE22 HD12 ' A' ' 18' ' ' ILE . 25.9 mm-40 61.95 -7.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.679 -0.691 . . . . 3.98 112.027 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 16' ' ' LEU . 3.1 tm? -46.07 -44.1 15.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.409 . . . . 4.0999999999999996 110.776 -179.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -52.42 -35.7 52.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.017 -0.538 . . . . 6.3200000000000003 110.816 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.828 HD12 HE22 ' A' ' 15' ' ' GLN . 54.8 mt -92.88 -32.93 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.763 -0.653 . . . . 3.3799999999999999 110.935 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 tpt -70.9 34.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 4.3200000000000003 111.237 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' ILE . 38.3 ptt180 -139.65 -24.55 0.85 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.966 -0.561 . . . . 7.0700000000000003 110.478 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 18' ' ' ILE . 4.0 mm? -63.98 -30.43 71.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 5.0199999999999996 110.404 178.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.4 pt? -147.75 47.04 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.621 . . . . 7.0 110.558 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.8 m -162.91 98.17 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.548 -0.751 . . . . 6.8799999999999999 110.379 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HG3' HH11 ' A' ' 24' ' ' ARG . 5.4 ptm180 -73.55 -43.75 59.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 10.630000000000001 109.939 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.8 tp . . . . . 0 C--O 1.255 1.37 0 CA-C-O 117.967 -1.016 . . . . 10.67 111.193 179.101 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.724 ' CD2' HG23 ' A' ' 2' ' ' VAL . 77.3 t60 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.05 -0.352 . . . . 10.210000000000001 110.05 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 1.022 HG22 HG21 ' A' ' 6' ' ' VAL . 60.1 t 69.43 133.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 O-C-N 123.503 0.502 . . . . 7.1399999999999997 110.738 -179.293 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -157.1 -55.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.029 -0.532 . . . . 5.7800000000000002 110.333 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -156.41 136.13 12.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.099 -0.5 . . . . 6.3600000000000003 110.272 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? 54.03 41.46 32.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.224 0.535 . . . . 5.2300000000000004 109.796 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.022 HG21 HG22 ' A' ' 2' ' ' VAL . 11.7 p -71.86 52.24 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 115.267 -0.878 . . . . 3.2599999999999998 112.09 -179.257 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.2 -60.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.319 -0.623 . . . . 1.8400000000000001 109.319 179.155 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.36 -51.62 44.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.363 0.601 . . . . 2.8500000000000001 109.756 178.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -58.17 -31.3 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.506 -0.77 . . . . 4.0099999999999998 111.108 179.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -57.16 -43.61 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.067 0.461 . . . . 1.71 109.997 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.583 HD23 ' NE2' ' A' ' 15' ' ' GLN . 5.5 mp -63.02 -38.73 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.484 0.659 . . . . 2.6899999999999999 109.787 179.03 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.545 ' HA ' HD21 ' A' ' 16' ' ' LEU . 74.6 mt -60.42 -19.32 55.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 2.77 110.916 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.73 -25.02 68.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 2.27 111.909 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 2.4 tpmt? -165.81 -34.61 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.746 0.647 . . . . 3.8199999999999998 112.746 -178.87 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.583 ' NE2' HD23 ' A' ' 11' ' ' LEU . 37.9 tt0 -40.12 -26.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.156 0.428 . . . . 3.98 112.156 -178.546 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 12' ' ' LEU . 3.7 mm? -47.18 -42.86 20.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.094 0.473 . . . . 4.0999999999999996 110.437 179.518 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -64.56 -40.87 96.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.661 -0.496 . . . . 6.3200000000000003 109.661 179.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -57.47 -52.35 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 3.3799999999999999 110.784 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 19.1 ptp -56.83 -41.06 77.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.985 0.421 . . . . 4.3200000000000003 110.157 179.623 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 22' ' ' LEU . 44.8 mtp85 -60.81 -54.97 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 7.0700000000000003 109.891 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 21' ' ' LEU . 6.5 mp -79.44 33.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.259 0.552 . . . . 5.0199999999999996 110.088 178.362 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' ARG . 25.5 tp -166.84 48.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 7.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 25' ' ' LEU . 2.2 p -60.18 -42.74 95.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.664 -0.698 . . . . 6.8799999999999999 109.513 179.06 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 71.12 -39.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.177 -0.919 . . . . 10.630000000000001 111.018 179.26 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 23' ' ' THR . 95.6 mt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.746 -1.121 . . . . 10.67 110.593 179.885 . . . . . . . . 1 1 . 1 stop_ save_