data_2rlh_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 2rlh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 120.872 0.368 . . . . 99.99 110.35 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -78.8 -43.62 25.0 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.457 -0.942 . . . . 99.99 108.457 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.524 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -71.67 -27.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.585 -0.846 . . . . 99.99 109.378 178.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -67.57 -31.8 72.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 99.99 109.093 178.166 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.6 -43.97 89.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.768 -1.197 . . . . 99.99 107.768 177.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -22.62 66.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.229 -1.351 . . . . 99.99 109.732 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 6' ' ' PHE . 47.5 mt -81.14 -10.13 59.69 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.18 -0.674 . . . . 99.99 109.18 177.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' HG ' ' HA ' ' A' ' 8' ' ' LYS . 45.0 mt -76.51 -48.26 20.04 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.865 -1.161 . . . . 99.99 107.865 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 99.99 108.538 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.1 t -76.02 -25.65 55.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.528 -0.76 . . . . 99.99 110.026 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.31 -29.94 70.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.473 -0.566 . . . . 99.99 109.473 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 99.99 111.701 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.548 0.203 . . . . 99.99 111.548 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.686 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -73.36 -38.08 65.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.454 -0.943 . . . . 99.99 108.454 177.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 3.2 m-85 -63.35 -31.32 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.807 -0.812 . . . . 99.99 108.807 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.54 -28.93 68.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.076 -0.966 . . . . 99.99 109.176 178.307 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -58.19 -47.89 82.02 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 122.152 0.977 . . . . 99.99 109.364 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -24.43 67.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.208 -1.36 . . . . 99.99 109.652 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.593 -0.73 . . . . 99.99 109.642 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 22.9 mt -76.67 -46.08 27.15 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 107.626 -1.25 . . . . 99.99 107.626 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -64.03 -31.83 73.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.875 -1.057 . . . . 99.99 109.268 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.472 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 25.2 p -83.27 -21.04 33.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.376 -0.601 . . . . 99.99 109.376 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -31.68 69.06 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.099 -0.704 . . . . 99.99 109.099 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 99.99 111.259 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 CA-C-O 120.699 0.285 . . . . 99.99 110.544 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -73.59 -41.04 63.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.823 -0.806 . . . . 99.99 108.823 178.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.512 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -73.23 -19.57 61.05 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 119.152 -1.019 . . . . 99.99 109.655 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HD2' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -72.65 -30.73 64.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.802 -0.814 . . . . 99.99 108.802 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -59.2 -50.03 75.58 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.459 1.124 . . . . 99.99 108.447 178.13 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -62.88 -22.84 67.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.626 -1.625 . . . . 99.99 109.724 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -81.08 -11.01 59.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.321 -0.622 . . . . 99.99 109.321 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 40.7 mt -74.4 -48.13 29.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.916 -1.142 . . . . 99.99 107.916 177.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -32.21 73.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.964 -1.016 . . . . 99.99 108.658 177.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -77.67 -24.82 49.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.61 -0.723 . . . . 99.99 109.939 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.784 -0.45 . . . . 99.99 109.784 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.452 -0.33 0 CA-C-N 116.047 -0.524 . . . . 99.99 111.386 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.811 0.339 . . . . 99.99 110.543 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -73.35 -41.63 63.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.181 -0.674 . . . . 99.99 109.181 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.501 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -72.67 -20.29 61.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.302 -0.959 . . . . 99.99 109.396 178.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HD2' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -72.25 -29.42 63.9 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.87 -0.789 . . . . 99.99 108.87 176.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.534 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.87 -46.91 88.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.181 0.991 . . . . 99.99 108.517 178.59 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.15 -24.46 67.41 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.121 -1.4 . . . . 99.99 109.78 178.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 6.7 tt -77.09 -13.81 59.9 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.944 -0.761 . . . . 99.99 108.944 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 26.6 mt -71.97 -49.27 38.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.677 -1.231 . . . . 99.99 107.677 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.36 68.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.079 -0.964 . . . . 99.99 108.966 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.2 p -78.27 -25.24 46.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.345 -0.613 . . . . 99.99 109.345 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -25.68 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.995 -0.743 . . . . 99.99 108.995 178.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.313 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 120.802 0.334 . . . . 99.99 110.812 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -75.12 -40.71 59.62 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.598 -0.89 . . . . 99.99 108.598 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.468 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -76.81 -21.02 55.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.719 -0.792 . . . . 99.99 109.936 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -70.56 -32.98 70.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.395 -0.965 . . . . 99.99 108.395 177.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -53.44 57.04 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.727 1.251 . . . . 99.99 107.633 177.229 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -19.92 63.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.174 -1.83 . . . . 99.99 109.893 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.73 -10.73 57.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.457 -0.571 . . . . 99.99 109.457 178.011 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 37.4 mt -75.44 -46.72 30.96 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 107.696 -1.224 . . . . 99.99 107.696 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -36.18 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.007 -0.997 . . . . 99.99 108.645 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t -77.64 -17.97 57.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.922 -0.581 . . . . 99.99 109.763 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.97 -30.24 63.68 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.502 -0.555 . . . . 99.99 109.502 178.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 99.99 111.655 -179.416 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' HE3' ' A' ' 7' ' ' LYS . 3.3 pttt . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.077 0.465 . . . . 99.99 110.674 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.663 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.76 -38.73 62.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 99.99 109.425 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.531 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 1.3 m-30 -67.52 -26.55 66.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.935 -0.706 . . . . 99.99 109.518 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HE3' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.793 -0.817 . . . . 99.99 108.793 178.295 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -51.94 -54.16 32.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.384 1.088 . . . . 99.99 108.574 177.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -23.33 66.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.764 -1.562 . . . . 99.99 109.827 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -83.24 -7.39 59.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.886 -0.597 . . . . 99.99 109.893 178.367 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 54.7 mt -77.96 -47.86 17.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.402 -0.962 . . . . 99.99 108.402 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.31 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 99.99 109.289 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.524 ' OG ' ' HA ' ' A' ' 10' ' ' LEU . 60.6 p -78.38 -29.32 47.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.08 -0.509 . . . . 99.99 110.025 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -64.2 -27.03 68.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.494 -0.928 . . . . 99.99 108.494 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 99.99 110.879 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.756 0 CA-C-O 120.968 0.413 . . . . 99.99 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -82.56 -38.89 23.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.594 -0.521 . . . . 99.99 109.594 178.438 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -74.21 -35.24 63.89 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.634 -0.426 . . . . 99.99 110.625 179.189 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.22 -31.95 71.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.579 -0.897 . . . . 99.99 108.579 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.512 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.27 -54.31 41.91 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.232 -0.895 . . . . 99.99 109.926 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -65.92 -18.44 65.34 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.863 -1.062 . . . . 99.99 109.822 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -87.72 -5.62 58.59 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.406 -0.59 . . . . 99.99 109.406 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 68.3 mt -79.34 -52.7 7.76 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.515 -0.92 . . . . 99.99 108.515 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.58 -28.12 66.66 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.662 -0.866 . . . . 99.99 108.662 178.031 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.444 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 5.8 t -82.59 -18.67 40.49 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.847 -0.615 . . . . 99.99 109.704 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.58 -34.09 76.32 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.604 -0.888 . . . . 99.99 108.604 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? . . . . . 0 N--CA 1.449 -0.509 0 CA-C-N 115.523 -0.762 . . . . 99.99 112.029 179.591 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.265 0 CA-C-O 120.821 0.343 . . . . 99.99 110.987 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.4 -37.9 36.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.287 0.565 . . . . 99.99 109.525 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.668 ' HD1' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -81.35 -17.11 50.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.928 -0.578 . . . . 99.99 110.692 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.668 ' N ' ' HD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -75.42 -32.25 60.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.918 -1.512 . . . . 99.99 106.918 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -56.76 -53.67 55.15 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 113.729 -1.578 . . . . 99.99 109.343 178.477 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -61.3 -24.61 66.54 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 113.848 -1.524 . . . . 99.99 109.64 178.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 tt -78.35 -11.88 59.97 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.39 -0.596 . . . . 99.99 109.39 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 37.4 mt -73.84 -47.49 38.0 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.319 -1.363 . . . . 99.99 107.319 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.91 72.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.672 -1.149 . . . . 99.99 108.455 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.6 p -69.62 -37.92 77.02 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.725 -0.67 . . . . 99.99 109.347 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.86 -40.96 97.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.642 -0.708 . . . . 99.99 109.615 178.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' N ' HD21 ' A' ' 14' ' ' LEU . 1.3 tmtp? . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.777 -0.647 . . . . 99.99 110.248 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.569 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.899 0 CA-C-O 121.242 0.544 . . . . 99.99 110.789 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.91 -31.67 61.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.211 -0.662 . . . . 99.99 109.211 177.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 3.1 m-30 -72.11 -30.66 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 99.99 111.711 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.579 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 3.0 mtmt -67.63 -36.74 81.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.875 -1.157 . . . . 99.99 107.875 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -48.34 -57.27 6.26 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 114.773 -1.103 . . . . 99.99 109.486 178.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -64.55 -18.98 65.34 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.137 -1.392 . . . . 99.99 110.146 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.31 -3.0 58.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.367 -0.605 . . . . 99.99 109.367 177.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 66.7 mt -82.13 -48.01 11.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.07 -31.92 69.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.664 -0.865 . . . . 99.99 108.664 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -79.42 -22.24 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.606 -0.724 . . . . 99.99 109.806 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.87 -34.23 77.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.847 -0.797 . . . . 99.99 108.847 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.449 -0.52 0 CA-C-N 115.509 -0.769 . . . . 99.99 112.16 -179.653 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HE2' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.5 -0.971 0 CA-C-O 120.888 0.375 . . . . 99.99 110.483 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -33.33 39.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 119.752 -0.779 . . . . 99.99 110.376 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -84.84 -25.65 27.94 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.987 -0.551 . . . . 99.99 111.503 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -72.01 -32.04 66.79 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.771 -1.566 . . . . 99.99 106.771 175.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -55.17 -48.94 73.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 114.682 -1.145 . . . . 99.99 108.302 177.285 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -21.14 66.58 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.325 -1.761 . . . . 99.99 109.699 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -87.09 -5.49 59.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.517 -0.549 . . . . 99.99 109.517 178.057 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HG ' ' HA ' ' A' ' 8' ' ' LYS . 57.2 mt -80.54 -44.79 18.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.17 -1.048 . . . . 99.99 108.17 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -33.76 73.46 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.413 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 17.7 t -78.18 -22.08 49.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.009 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.6 -32.78 71.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.294 -0.632 . . . . 99.99 109.294 178.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 115.826 -0.625 . . . . 99.99 111.874 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.918 0.389 . . . . 99.99 111.088 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER 168.67 -31.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.573 . . . . 99.99 110.36 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.87 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 9.5 p90 -53.02 -12.1 0.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.652 -0.704 . . . . 99.99 111.612 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -20.3 25.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.872 0.368 . . . . 99.99 110.35 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -78.8 -43.62 25.0 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.457 -0.942 . . . . 99.99 108.457 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.87 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -71.67 -27.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.585 -0.846 . . . . 99.99 109.378 178.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -67.57 -31.8 72.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 99.99 109.093 178.166 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.6 -43.97 89.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.768 -1.197 . . . . 99.99 107.768 177.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -22.62 66.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.229 -1.351 . . . . 99.99 109.732 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 6' ' ' PHE . 47.5 mt -81.14 -10.13 59.69 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.18 -0.674 . . . . 99.99 109.18 177.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' HG ' ' HA ' ' A' ' 8' ' ' LYS . 45.0 mt -76.51 -48.26 20.04 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.865 -1.161 . . . . 99.99 107.865 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 99.99 108.538 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.699 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 26.1 t -76.02 -25.65 55.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.528 -0.76 . . . . 99.99 110.026 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.31 -29.94 70.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.473 -0.566 . . . . 99.99 109.473 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.8 tmtm? -79.99 -74.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 99.99 111.701 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 12.9 tpt180 -90.45 2.11 56.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.116 0.784 . . . . 99.99 113.116 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 80.32 14.52 0.81 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.079 -0.711 . . . . 99.99 109.079 -177.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.699 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.222 0 CA-C-N 115.094 -0.957 . . . . 99.99 112.562 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' CB ' ' HE2' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.69 0.281 . . . . 99.99 111.048 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' N ' ' CE ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER 166.79 -31.52 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.699 0.761 . . . . 99.99 110.202 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -44.81 -24.74 0.23 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.819 -1.082 . . . . 99.99 111.732 179.391 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -76.91 -27.01 54.76 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.449 -0.796 . . . . 99.99 111.548 -178.43 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.686 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -73.36 -38.08 65.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.454 -0.943 . . . . 99.99 108.454 177.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.502 ' CE2' HD12 ' A' ' 2' ' ' LEU . 3.2 m-85 -63.35 -31.32 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.807 -0.812 . . . . 99.99 108.807 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.54 -28.93 68.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.076 -0.966 . . . . 99.99 109.176 178.307 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -58.19 -47.89 82.02 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 122.152 0.977 . . . . 99.99 109.364 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -24.43 67.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.208 -1.36 . . . . 99.99 109.652 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.593 -0.73 . . . . 99.99 109.642 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 22.9 mt -76.67 -46.08 27.15 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 107.626 -1.25 . . . . 99.99 107.626 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -64.03 -31.83 73.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.875 -1.057 . . . . 99.99 109.268 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 25.2 p -83.27 -21.04 33.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.376 -0.601 . . . . 99.99 109.376 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -31.68 69.06 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.099 -0.704 . . . . 99.99 109.099 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.63 -66.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 99.99 111.259 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 11.1 tpt180 -91.14 0.98 57.42 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.8 1.037 . . . . 99.99 113.8 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.3 OUTLIER 80.79 14.49 0.7 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.124 0.488 . . . . 99.99 110.65 -179.081 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 121.035 -0.602 . . . . 99.99 112.754 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.806 0.336 . . . . 99.99 111.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.478 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER 171.11 -35.15 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.945 0.402 . . . . 99.99 110.746 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.725 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 6.3 p90 -50.39 -21.38 1.41 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.883 -0.599 . . . . 99.99 110.621 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.58 -25.86 50.33 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.763 -0.653 . . . . 99.99 110.544 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -73.59 -41.04 63.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.823 -0.806 . . . . 99.99 108.823 178.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.725 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -73.23 -19.57 61.05 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 119.152 -1.019 . . . . 99.99 109.655 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HD2' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -72.65 -30.73 64.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.802 -0.814 . . . . 99.99 108.802 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -59.2 -50.03 75.58 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.459 1.124 . . . . 99.99 108.447 178.13 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -62.88 -22.84 67.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.626 -1.625 . . . . 99.99 109.724 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -81.08 -11.01 59.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.321 -0.622 . . . . 99.99 109.321 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 40.7 mt -74.4 -48.13 29.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.916 -1.142 . . . . 99.99 107.916 177.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -32.21 73.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.964 -1.016 . . . . 99.99 108.658 177.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.538 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 15.7 p -77.67 -24.82 49.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.61 -0.723 . . . . 99.99 109.939 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.784 -0.45 . . . . 99.99 109.784 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -78.47 -69.23 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.047 -0.524 . . . . 99.99 111.386 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HA ' ' HD3' ' A' ' 16' ' ' ARG . 4.1 tpp180 -90.76 0.77 57.34 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.285 0.846 . . . . 99.99 113.285 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.3 OUTLIER 80.23 16.65 0.71 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.127 0.489 . . . . 99.99 110.474 -179.008 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.471 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.33 0.229 0 CA-C-N 115.839 -0.618 . . . . 99.99 112.782 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.92 0.39 . . . . 99.99 110.835 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.493 ' CA ' ' HD2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER 172.12 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 99.99 110.891 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.72 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 6.2 p90 -50.01 -21.09 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.742 -0.663 . . . . 99.99 110.978 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.15 -26.27 47.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.077 -0.51 . . . . 99.99 110.543 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -73.35 -41.63 63.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.181 -0.674 . . . . 99.99 109.181 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.72 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -72.67 -20.29 61.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.302 -0.959 . . . . 99.99 109.396 178.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HD2' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -72.25 -29.42 63.9 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.87 -0.789 . . . . 99.99 108.87 176.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.87 -46.91 88.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.181 0.991 . . . . 99.99 108.517 178.59 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.15 -24.46 67.41 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.121 -1.4 . . . . 99.99 109.78 178.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 6.7 tt -77.09 -13.81 59.9 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.944 -0.761 . . . . 99.99 108.944 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 26.6 mt -71.97 -49.27 38.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.677 -1.231 . . . . 99.99 107.677 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.36 68.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.079 -0.964 . . . . 99.99 108.966 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.2 p -78.27 -25.24 46.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.345 -0.613 . . . . 99.99 109.345 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -25.68 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.995 -0.743 . . . . 99.99 108.995 178.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -82.89 -62.56 1.57 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.313 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 15' ' ' LYS . 9.2 tpt180 -91.12 0.38 57.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.881 0.697 . . . . 99.99 112.881 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 82.22 10.71 0.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.808 0.337 . . . . 99.99 110.834 -179.232 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.321 0 C-N-CA 120.865 -0.683 . . . . 99.99 112.693 179.754 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.772 0.32 . . . . 99.99 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.429 ' N ' ' HE2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER 168.95 -30.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.11 0.481 . . . . 99.99 110.83 179.727 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.762 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 4.8 p90 -50.34 -17.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.588 . . . . 99.99 111.171 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HE2' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -81.99 -24.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.812 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -75.12 -40.71 59.62 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.598 -0.89 . . . . 99.99 108.598 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.762 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -76.81 -21.02 55.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.719 -0.792 . . . . 99.99 109.936 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -70.56 -32.98 70.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.395 -0.965 . . . . 99.99 108.395 177.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -53.44 57.04 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.727 1.251 . . . . 99.99 107.633 177.229 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -19.92 63.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.174 -1.83 . . . . 99.99 109.893 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.73 -10.73 57.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.457 -0.571 . . . . 99.99 109.457 178.011 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 37.4 mt -75.44 -46.72 30.96 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 107.696 -1.224 . . . . 99.99 107.696 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -36.18 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.007 -0.997 . . . . 99.99 108.645 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.671 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 6.0 t -77.64 -17.97 57.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.922 -0.581 . . . . 99.99 109.763 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.97 -30.24 63.68 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.502 -0.555 . . . . 99.99 109.502 178.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.1 tmtm? -81.95 -73.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 99.99 111.655 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HD2' ' O ' ' A' ' 16' ' ' ARG . 10.3 tpt180 -91.04 1.64 56.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.03 0.752 . . . . 99.99 113.03 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.671 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 76.36 18.39 1.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.713 0.768 . . . . 99.99 109.134 -177.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.628 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-N 114.982 -1.008 . . . . 99.99 112.671 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.728 0.299 . . . . 99.99 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -173.07 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.429 . . . . 99.99 111.199 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 34.4 p90 -45.17 -24.56 0.27 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.052 -0.522 . . . . 99.99 111.09 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' HE3' ' A' ' 7' ' ' LYS . 3.3 pttt -61.29 -38.17 85.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.674 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.663 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.76 -38.73 62.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 99.99 109.425 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 1.3 m-30 -67.52 -26.55 66.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.935 -0.706 . . . . 99.99 109.518 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HE3' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.793 -0.817 . . . . 99.99 108.793 178.295 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -51.94 -54.16 32.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.384 1.088 . . . . 99.99 108.574 177.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -23.33 66.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.764 -1.562 . . . . 99.99 109.827 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -83.24 -7.39 59.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.886 -0.597 . . . . 99.99 109.893 178.367 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 54.7 mt -77.96 -47.86 17.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.402 -0.962 . . . . 99.99 108.402 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.31 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 99.99 109.289 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.524 ' OG ' ' HA ' ' A' ' 10' ' ' LEU . 60.6 p -78.38 -29.32 47.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.08 -0.509 . . . . 99.99 110.025 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -64.2 -27.03 68.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.494 -0.928 . . . . 99.99 108.494 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.93 -65.04 0.82 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 99.99 110.879 179.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.772 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -90.61 -39.66 12.38 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.34 0.496 . . . . 99.99 112.34 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.772 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 133.22 10.5 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.209 1.004 . . . . 99.99 111.225 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' HA2' ' CB ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.329 0.192 0 C-N-CA 120.678 -0.772 . . . . 99.99 112.397 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.754 0.311 . . . . 99.99 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -175.56 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 99.99 111.32 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 97.7 m-85 -47.22 -21.29 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.304 -0.407 . . . . 99.99 111.069 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.85 -30.48 70.67 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.87 -179.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -82.56 -38.89 23.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.594 -0.521 . . . . 99.99 109.594 178.438 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.21 -35.24 63.89 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.634 -0.426 . . . . 99.99 110.625 179.189 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.22 -31.95 71.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.579 -0.897 . . . . 99.99 108.579 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.27 -54.31 41.91 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.232 -0.895 . . . . 99.99 109.926 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -65.92 -18.44 65.34 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.863 -1.062 . . . . 99.99 109.822 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -87.72 -5.62 58.59 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.406 -0.59 . . . . 99.99 109.406 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 68.3 mt -79.34 -52.7 7.76 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.515 -0.92 . . . . 99.99 108.515 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.58 -28.12 66.66 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.662 -0.866 . . . . 99.99 108.662 178.031 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.778 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 5.8 t -82.59 -18.67 40.49 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.847 -0.615 . . . . 99.99 109.704 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.58 -34.09 76.32 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.604 -0.888 . . . . 99.99 108.604 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 4.1 tmtm? -84.36 -80.38 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.523 -0.762 . . . . 99.99 112.029 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 2.9 tpt85 -92.15 1.24 57.33 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.973 0.731 . . . . 99.99 112.973 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 80.28 21.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.895 -1.15 . . . . 99.99 107.895 -176.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.778 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.337 0.599 0 CA-C-N 114.686 -1.143 . . . . 99.99 112.662 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 99.99 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.437 ' N ' ' HE2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER 179.18 -32.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.051 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.688 ' HA ' ' CE1' ' A' ' 6' ' ' PHE . 12.8 m-30 -49.67 -13.69 0.1 Allowed 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 112.885 0.698 . . . . 99.99 112.885 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -83.95 -28.04 28.1 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.674 -0.41 . . . . 99.99 110.987 -178.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.4 -37.9 36.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.287 0.565 . . . . 99.99 109.525 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.688 ' CE1' ' HA ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -81.35 -17.11 50.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.928 -0.578 . . . . 99.99 110.692 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.668 ' N ' ' HD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -75.42 -32.25 60.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.918 -1.512 . . . . 99.99 106.918 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -56.76 -53.67 55.15 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 113.729 -1.578 . . . . 99.99 109.343 178.477 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -61.3 -24.61 66.54 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 113.848 -1.524 . . . . 99.99 109.64 178.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 tt -78.35 -11.88 59.97 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.39 -0.596 . . . . 99.99 109.39 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 37.4 mt -73.84 -47.49 38.0 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.319 -1.363 . . . . 99.99 107.319 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.91 72.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.672 -1.149 . . . . 99.99 108.455 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.47 ' HB2' ' HA2' ' A' ' 18' ' ' GLY . 27.6 p -69.62 -37.92 77.02 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.725 -0.67 . . . . 99.99 109.347 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.86 -40.96 97.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.642 -0.708 . . . . 99.99 109.615 178.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' N ' HD21 ' A' ' 14' ' ' LEU . 1.3 tmtp? -50.23 -63.53 1.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.777 -0.647 . . . . 99.99 110.248 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -90.37 -71.45 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 99.99 110.716 179.281 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 1.9 pp 162.24 37.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.094 -0.503 . . . . 99.99 110.54 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.947 -0.645 . . . . 99.99 112.581 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.803 0.335 . . . . 99.99 111.085 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -172.42 -38.47 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.104 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.662 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 78.8 m-85 -38.44 -34.26 0.13 Allowed 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.429 0.633 . . . . 99.99 110.63 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.569 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -49.54 -42.54 44.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.841 -1.072 . . . . 99.99 110.789 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.91 -31.67 61.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.211 -0.662 . . . . 99.99 109.211 177.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -72.11 -30.66 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 99.99 111.711 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.662 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 3.0 mtmt -67.63 -36.74 81.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.875 -1.157 . . . . 99.99 107.875 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -48.34 -57.27 6.26 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 114.773 -1.103 . . . . 99.99 109.486 178.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -64.55 -18.98 65.34 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.137 -1.392 . . . . 99.99 110.146 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.31 -3.0 58.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.367 -0.605 . . . . 99.99 109.367 177.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 66.7 mt -82.13 -48.01 11.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.043 -1.095 . . . . 99.99 108.043 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.07 -31.92 69.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.664 -0.865 . . . . 99.99 108.664 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.744 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 1.2 p -79.42 -22.24 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.606 -0.724 . . . . 99.99 109.806 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.87 -34.23 77.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.847 -0.797 . . . . 99.99 108.847 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.2 tmtm? -81.99 -80.14 0.16 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.509 -0.769 . . . . 99.99 112.16 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 10.6 tpt180 -91.34 1.66 56.95 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.669 0.618 . . . . 99.99 112.669 -178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.629 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 78.89 21.3 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.216 -1.031 . . . . 99.99 108.216 -177.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.744 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.333 0.397 0 CA-C-N 114.803 -1.09 . . . . 99.99 112.458 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.788 0.328 . . . . 99.99 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -158.82 -50.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.084 0.469 . . . . 99.99 110.46 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.689 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 2.0 m-85 -55.41 -15.28 2.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.8 -0.636 . . . . 99.99 110.927 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.563 ' N ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -78.48 -45.79 21.21 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 119.498 -0.881 . . . . 99.99 110.483 -179.471 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.01 -33.33 39.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 119.752 -0.779 . . . . 99.99 110.376 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.661 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -84.84 -25.65 27.94 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.987 -0.551 . . . . 99.99 111.503 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.689 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -72.01 -32.04 66.79 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.771 -1.566 . . . . 99.99 106.771 175.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -55.17 -48.94 73.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 114.682 -1.145 . . . . 99.99 108.302 177.285 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -21.14 66.58 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.325 -1.761 . . . . 99.99 109.699 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -87.09 -5.49 59.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.517 -0.549 . . . . 99.99 109.517 178.057 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HG ' ' HA ' ' A' ' 8' ' ' LYS . 57.2 mt -80.54 -44.79 18.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.17 -1.048 . . . . 99.99 108.17 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -33.76 73.46 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.271 -1.011 . . . . 99.99 108.271 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.761 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 17.7 t -78.18 -22.08 49.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.009 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.6 -32.78 71.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.294 -0.632 . . . . 99.99 109.294 178.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.2 tmtm? -82.71 -80.22 0.17 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.826 -0.625 . . . . 99.99 111.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.594 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 1.6 tpt180 -91.41 1.76 56.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.52 0.563 . . . . 99.99 112.52 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 79.09 23.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.469 -0.937 . . . . 99.99 108.469 -177.241 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.761 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.334 0.431 0 CA-C-N 114.879 -1.055 . . . . 99.99 112.17 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 120.872 0.368 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -78.8 -43.62 25.0 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -71.67 -27.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.378 178.132 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HE3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -67.57 -31.8 72.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.093 178.166 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.6 -43.97 89.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.799 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -22.62 66.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.229 -1.351 . . . . 0.0 109.732 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 6' ' ' PHE . 47.5 mt -81.14 -10.13 59.69 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 14' ' ' LEU . 45.0 mt -76.51 -48.26 20.04 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.538 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.1 t -76.02 -25.65 55.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.026 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.31 -29.94 70.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -73.36 -38.08 65.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.419 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 3.2 m-85 -63.35 -31.32 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.54 -28.93 68.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.176 178.307 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -58.19 -47.89 82.02 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 122.152 0.977 . . . . 0.0 109.364 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -24.43 67.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.652 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.642 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 14' ' ' LEU . 22.9 mt -76.67 -46.08 27.15 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -64.03 -31.83 73.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.268 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 25.2 p -83.27 -21.04 33.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.34 -31.68 69.06 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.259 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 CA-C-O 120.699 0.285 . . . . 0.0 110.544 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -73.59 -41.04 63.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.588 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.529 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -73.23 -19.57 61.05 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.655 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.765 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.65 -30.73 64.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -59.2 -50.03 75.58 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.459 1.124 . . . . 0.0 108.447 178.13 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -62.88 -22.84 67.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.626 -1.625 . . . . 0.0 109.724 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.765 HD13 ' CE ' ' A' ' 7' ' ' LYS . 7.6 tt -81.08 -11.01 59.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 14' ' ' LEU . 40.7 mt -74.4 -48.13 29.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 177.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -32.21 73.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.658 177.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -77.67 -24.82 49.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.939 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.452 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.811 0.339 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -73.35 -41.63 63.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.531 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -72.67 -20.29 61.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.396 178.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.698 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.25 -29.42 63.9 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.87 -46.91 88.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.181 0.991 . . . . 0.0 108.517 178.59 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.15 -24.46 67.41 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.121 -1.4 . . . . 0.0 109.78 178.295 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 10' ' ' LEU . 6.7 tt -77.09 -13.81 59.9 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 14' ' ' LEU . 26.6 mt -71.97 -49.27 38.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.36 68.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.966 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.2 p -78.27 -25.24 46.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -25.68 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.345 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.313 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 120.802 0.334 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -75.12 -40.71 59.62 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -76.81 -21.02 55.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.936 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -70.56 -32.98 70.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HD2' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -53.44 57.04 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.727 1.251 . . . . 0.0 107.633 177.229 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -19.92 63.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.893 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.73 -10.73 57.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.011 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.4 mt -75.44 -46.72 30.96 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -36.18 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.645 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 6.0 t -77.64 -17.97 57.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.763 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.97 -30.24 63.68 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.72 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.655 -179.416 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HE3' ' A' ' 7' ' ' LYS . 3.3 pttt . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.077 0.465 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.674 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.76 -38.73 62.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 109.425 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 1.3 m-30 -67.52 -26.55 66.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.518 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.792 ' CD ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.295 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -51.94 -54.16 32.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.384 1.088 . . . . 0.0 108.574 177.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -23.33 66.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.827 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -83.24 -7.39 59.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.893 178.367 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.792 HD21 ' CD ' ' A' ' 7' ' ' LYS . 54.7 mt -77.96 -47.86 17.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.31 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.289 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.538 ' OG ' ' HA ' ' A' ' 10' ' ' LEU . 60.6 p -78.38 -29.32 47.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -27.03 68.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.879 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.756 0 CA-C-O 120.968 0.413 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HG2' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -82.56 -38.89 23.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.438 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.534 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -74.21 -35.24 63.89 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.625 179.189 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.587 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.22 -31.95 71.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.507 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.27 -54.31 41.91 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.926 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -65.92 -18.44 65.34 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.822 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -87.72 -5.62 58.59 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 68.3 mt -79.34 -52.7 7.76 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.58 -28.12 66.66 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.031 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.443 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 5.8 t -82.59 -18.67 40.49 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.704 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.58 -34.09 76.32 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? . . . . . 0 N--CA 1.449 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.029 179.591 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.265 0 CA-C-O 120.821 0.343 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.4 -37.9 36.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.287 0.565 . . . . 0.0 109.525 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.688 ' HD1' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -81.35 -17.11 50.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.692 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.833 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.42 -32.25 60.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -56.76 -53.67 55.15 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.343 178.477 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.548 ' CD ' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -61.3 -24.61 66.54 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.64 178.374 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.833 HD13 ' CE ' ' A' ' 7' ' ' LYS . 7.9 tt -78.35 -11.88 59.97 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.538 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 37.4 mt -73.84 -47.49 38.0 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.91 72.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.455 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.6 p -69.62 -37.92 77.02 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.347 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.86 -40.96 97.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.615 178.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.3 tmtp? . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.248 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.899 0 CA-C-O 121.242 0.544 . . . . 0.0 110.789 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.91 -31.67 61.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.663 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 3.1 m-30 -72.11 -30.66 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.711 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.608 ' CE ' ' HA ' ' A' ' 4' ' ' LYS . 3.0 mtmt -67.63 -36.74 81.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -48.34 -57.27 6.26 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.486 178.516 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -64.55 -18.98 65.34 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.146 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.31 -3.0 58.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.718 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 66.7 mt -82.13 -48.01 11.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.07 -31.92 69.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -79.42 -22.24 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.806 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.87 -34.23 77.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.449 -0.52 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.16 -179.653 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HE2' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.5 -0.971 0 CA-C-O 120.888 0.375 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -33.33 39.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.376 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -84.84 -25.65 27.94 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.503 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -72.01 -32.04 66.79 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 175.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -55.17 -48.94 73.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 114.682 -1.145 . . . . 0.0 108.302 177.285 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -21.14 66.58 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.699 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -87.09 -5.49 59.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.057 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.529 ' HG ' ' HA ' ' A' ' 8' ' ' LYS . 57.2 mt -80.54 -44.79 18.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -33.76 73.46 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.425 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 17.7 t -78.18 -22.08 49.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.009 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.6 -32.78 71.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.874 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.67 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.918 0.389 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 168.67 -31.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.36 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.888 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 9.5 p90 -53.02 -12.1 0.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.612 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.61 ' CE ' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -88.37 -20.3 25.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.872 0.368 . . . . 0.0 110.35 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -78.8 -43.62 25.0 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -71.67 -27.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.378 178.132 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HE3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -67.57 -31.8 72.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.093 178.166 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.6 -43.97 89.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -22.62 66.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.229 -1.351 . . . . 0.0 109.732 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 6' ' ' PHE . 47.5 mt -81.14 -10.13 59.69 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 14' ' ' LEU . 45.0 mt -76.51 -48.26 20.04 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.538 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.719 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 26.1 t -76.02 -25.65 55.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.026 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.31 -29.94 70.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.8 tmtm? -79.99 -74.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.5 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 12.9 tpt180 -90.45 2.11 56.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 80.32 14.52 0.81 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.763 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.719 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.222 0 CA-C-N 115.094 -0.957 . . . . 99.99 112.562 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.826 ' HB1' ' HE2' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.69 0.281 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 166.79 -31.52 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.699 0.761 . . . . 0.0 110.202 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -44.81 -24.74 0.23 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.732 179.391 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.826 ' HE2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -76.91 -27.01 54.76 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.548 -178.43 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -73.36 -38.08 65.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.2 m-85 -63.35 -31.32 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.54 -28.93 68.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.176 178.307 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -58.19 -47.89 82.02 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 122.152 0.977 . . . . 0.0 109.364 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -24.43 67.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.652 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.642 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 14' ' ' LEU . 22.9 mt -76.67 -46.08 27.15 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -64.03 -31.83 73.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.268 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 25.2 p -83.27 -21.04 33.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.34 -31.68 69.06 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.63 -66.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.259 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 17' ' ' LEU . 11.1 tpt180 -91.14 0.98 57.42 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 80.79 14.49 0.7 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.124 0.488 . . . . 0.0 110.65 -179.081 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 121.035 -0.602 . . . . 99.99 112.754 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.695 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.806 0.336 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 171.11 -35.15 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.945 0.402 . . . . 0.0 110.746 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.748 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 6.3 p90 -50.39 -21.38 1.41 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.621 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.58 -25.86 50.33 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.544 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -73.59 -41.04 63.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.588 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -73.23 -19.57 61.05 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.655 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.765 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.65 -30.73 64.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -59.2 -50.03 75.58 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.459 1.124 . . . . 0.0 108.447 178.13 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -62.88 -22.84 67.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.626 -1.625 . . . . 0.0 109.724 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.765 HD13 ' CE ' ' A' ' 7' ' ' LYS . 7.6 tt -81.08 -11.01 59.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 14' ' ' LEU . 40.7 mt -74.4 -48.13 29.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 177.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -32.21 73.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.658 177.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.52 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 15.7 p -77.67 -24.82 49.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.939 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -78.47 -69.23 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 17' ' ' LEU . 4.1 tpp180 -90.76 0.77 57.34 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 80.23 16.65 0.71 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.127 0.489 . . . . 0.0 110.474 -179.008 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.33 0.229 0 CA-C-N 115.839 -0.618 . . . . 99.99 112.782 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.71 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.71 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 172.12 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.891 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.735 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 6.2 p90 -50.01 -21.09 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.978 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.549 ' CE ' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -78.15 -26.27 47.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.543 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -73.35 -41.63 63.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.735 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -72.67 -20.29 61.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.396 178.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.698 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.25 -29.42 63.9 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.87 -46.91 88.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.181 0.991 . . . . 0.0 108.517 178.59 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.15 -24.46 67.41 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.121 -1.4 . . . . 0.0 109.78 178.295 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.868 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.7 tt -77.09 -13.81 59.9 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 14' ' ' LEU . 26.6 mt -71.97 -49.27 38.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.36 68.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.966 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.2 p -78.27 -25.24 46.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -25.68 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.345 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -82.89 -62.56 1.57 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.313 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 15' ' ' LYS . 9.2 tpt180 -91.12 0.38 57.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 82.22 10.71 0.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.808 0.337 . . . . 0.0 110.834 -179.232 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.332 0.321 0 C-N-CA 120.865 -0.683 . . . . 99.99 112.693 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.649 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 168.95 -30.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.11 0.481 . . . . 0.0 110.83 179.727 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.777 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 4.8 p90 -50.34 -17.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.171 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -81.99 -24.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -75.12 -40.71 59.62 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.777 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -76.81 -21.02 55.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.936 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -70.56 -32.98 70.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HD2' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -53.44 57.04 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.727 1.251 . . . . 0.0 107.633 177.229 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -19.92 63.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.893 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.73 -10.73 57.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.011 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.4 mt -75.44 -46.72 30.96 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HE3' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -66.52 -36.18 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.645 177.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.655 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 6.0 t -77.64 -17.97 57.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.763 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.97 -30.24 63.68 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.72 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.1 tmtm? -81.95 -73.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.655 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 10.3 tpt180 -91.04 1.64 56.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 76.36 18.39 1.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.713 0.768 . . . . 0.0 109.134 -177.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.649 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-N 114.982 -1.008 . . . . 99.99 112.671 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.807 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.728 0.299 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -173.07 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.429 . . . . 0.0 111.199 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.495 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 34.4 p90 -45.17 -24.56 0.27 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.09 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.53 ' NZ ' ' HB3' ' A' ' 1' ' ' ALA . 3.3 pttt -61.29 -38.17 85.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.674 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.674 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.76 -38.73 62.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 109.425 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 1.3 m-30 -67.52 -26.55 66.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.518 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.792 ' CD ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.295 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -51.94 -54.16 32.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.384 1.088 . . . . 0.0 108.574 177.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -23.33 66.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.827 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -83.24 -7.39 59.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.893 178.367 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD21 ' CD ' ' A' ' 7' ' ' LYS . 54.7 mt -77.96 -47.86 17.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.31 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.289 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.538 ' OG ' ' HA ' ' A' ' 10' ' ' LEU . 60.6 p -78.38 -29.32 47.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -27.03 68.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.93 -65.04 0.82 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.879 179.37 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.787 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -90.61 -39.66 12.38 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 133.22 10.5 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.209 1.004 . . . . 0.0 111.225 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.551 ' N ' HD13 ' A' ' 17' ' ' LEU . . . . . . . . 0 C--N 1.329 0.192 0 C-N-CA 120.678 -0.772 . . . . 99.99 112.397 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.791 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -175.56 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 111.32 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.5 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 97.7 m-85 -47.22 -21.29 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.85 -30.48 70.67 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HG2' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -82.56 -38.89 23.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.438 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.682 ' CZ ' ' HB2' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.21 -35.24 63.89 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.625 179.189 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.587 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.22 -31.95 71.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.507 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.27 -54.31 41.91 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.926 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -65.92 -18.44 65.34 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.822 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -87.72 -5.62 58.59 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 68.3 mt -79.34 -52.7 7.76 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.58 -28.12 66.66 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.031 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.801 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 5.8 t -82.59 -18.67 40.49 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.704 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.58 -34.09 76.32 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 4.1 tmtm? -84.36 -80.38 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.029 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 2.9 tpt85 -92.15 1.24 57.33 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 80.28 21.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -176.68 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.801 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.337 0.599 0 CA-C-N 114.686 -1.143 . . . . 99.99 112.662 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.763 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 179.18 -32.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.051 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 12.8 m-30 -49.67 -13.69 0.1 Allowed 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -83.95 -28.04 28.1 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.987 -178.61 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.4 -37.9 36.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.287 0.565 . . . . 0.0 109.525 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.688 ' HD1' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -81.35 -17.11 50.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.692 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.833 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.42 -32.25 60.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -56.76 -53.67 55.15 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.343 178.477 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.548 ' CD ' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -61.3 -24.61 66.54 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.64 178.374 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.833 HD13 ' CE ' ' A' ' 7' ' ' LYS . 7.9 tt -78.35 -11.88 59.97 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 37.4 mt -73.84 -47.49 38.0 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.91 72.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.455 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.507 ' HB2' ' HA2' ' A' ' 18' ' ' GLY . 27.6 p -69.62 -37.92 77.02 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.347 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.86 -40.96 97.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.615 178.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.3 tmtp? -50.23 -63.53 1.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.248 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -90.37 -71.45 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.716 179.281 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 17' ' ' LEU . 1.9 pp 162.24 37.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA2' ' HB2' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.947 -0.645 . . . . 99.99 112.581 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.815 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.803 0.335 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -172.42 -38.47 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 78.8 m-85 -38.44 -34.26 0.13 Allowed 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.429 0.633 . . . . 0.0 110.63 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -49.54 -42.54 44.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.789 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.91 -31.67 61.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.616 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -72.11 -30.66 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.711 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 3.0 mtmt -67.63 -36.74 81.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -48.34 -57.27 6.26 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.486 178.516 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -64.55 -18.98 65.34 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.146 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.31 -3.0 58.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 66.7 mt -82.13 -48.01 11.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.07 -31.92 69.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.77 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 1.2 p -79.42 -22.24 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.806 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.87 -34.23 77.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.2 tmtm? -81.99 -80.14 0.16 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.16 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 10.6 tpt180 -91.34 1.66 56.95 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 78.89 21.3 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.114 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.77 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.333 0.397 0 CA-C-N 114.803 -1.09 . . . . 99.99 112.458 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.874 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.788 0.328 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -158.82 -50.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.084 0.469 . . . . 0.0 110.46 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.693 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 2.0 m-85 -55.41 -15.28 2.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.927 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.597 ' HG2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -78.48 -45.79 21.21 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.483 -179.471 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.01 -33.33 39.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.376 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.693 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -84.84 -25.65 27.94 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.503 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.689 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -72.01 -32.04 66.79 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 175.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -55.17 -48.94 73.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 114.682 -1.145 . . . . 0.0 108.302 177.285 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -21.14 66.58 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.699 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -87.09 -5.49 59.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.057 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.529 ' HG ' ' HA ' ' A' ' 8' ' ' LYS . 57.2 mt -80.54 -44.79 18.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -33.76 73.46 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.786 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 17.7 t -78.18 -22.08 49.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.009 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.6 -32.78 71.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.2 tmtm? -82.71 -80.22 0.17 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.598 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 1.6 tpt180 -91.41 1.76 56.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 79.09 23.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -177.241 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.786 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.334 0.431 0 CA-C-N 114.879 -1.055 . . . . 99.99 112.17 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 120.872 0.368 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -78.8 -43.62 25.0 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -71.67 -27.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.378 178.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HE3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -67.57 -31.8 72.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.093 178.166 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.6 -43.97 89.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -22.62 66.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.229 -1.351 . . . . 0.0 109.732 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 6' ' ' PHE . 47.5 mt -81.14 -10.13 59.69 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 14' ' ' LEU . 45.0 mt -76.51 -48.26 20.04 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.538 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 26.1 t -76.02 -25.65 55.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.026 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.31 -29.94 70.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -73.36 -38.08 65.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.419 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 3.2 m-85 -63.35 -31.32 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.54 -28.93 68.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.176 178.307 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -58.19 -47.89 82.02 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 122.152 0.977 . . . . 0.0 109.364 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -24.43 67.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.652 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.642 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 14' ' ' LEU . 22.9 mt -76.67 -46.08 27.15 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -64.03 -31.83 73.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.268 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 25.2 p -83.27 -21.04 33.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.34 -31.68 69.06 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.259 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 CA-C-O 120.699 0.285 . . . . 0.0 110.544 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -73.59 -41.04 63.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.529 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -73.23 -19.57 61.05 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.655 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.765 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.65 -30.73 64.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -59.2 -50.03 75.58 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.459 1.124 . . . . 0.0 108.447 178.13 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -62.88 -22.84 67.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.626 -1.625 . . . . 0.0 109.724 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.765 HD13 ' CE ' ' A' ' 7' ' ' LYS . 7.6 tt -81.08 -11.01 59.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 14' ' ' LEU . 40.7 mt -74.4 -48.13 29.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 177.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -32.21 73.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.658 177.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -77.67 -24.82 49.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.939 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.452 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.811 0.339 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -73.35 -41.63 63.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.531 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -72.67 -20.29 61.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.396 178.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.698 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.25 -29.42 63.9 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.87 -46.91 88.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.181 0.991 . . . . 0.0 108.517 178.59 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.15 -24.46 67.41 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.121 -1.4 . . . . 0.0 109.78 178.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 10' ' ' LEU . 6.7 tt -77.09 -13.81 59.9 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 14' ' ' LEU . 26.6 mt -71.97 -49.27 38.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.36 68.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.966 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.2 p -78.27 -25.24 46.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -25.68 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.313 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 120.802 0.334 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -75.12 -40.71 59.62 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -76.81 -21.02 55.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.936 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -70.56 -32.98 70.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HD2' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -53.44 57.04 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.727 1.251 . . . . 0.0 107.633 177.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -19.92 63.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.893 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.73 -10.73 57.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.011 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.4 mt -75.44 -46.72 30.96 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -36.18 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.645 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 6.0 t -77.64 -17.97 57.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.763 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.97 -30.24 63.68 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.655 -179.416 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HE3' ' A' ' 7' ' ' LYS . 3.3 pttt . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.077 0.465 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.674 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.76 -38.73 62.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 109.425 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 1.3 m-30 -67.52 -26.55 66.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.518 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.792 ' CD ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -51.94 -54.16 32.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.384 1.088 . . . . 0.0 108.574 177.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -23.33 66.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.827 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -83.24 -7.39 59.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.893 178.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.792 HD21 ' CD ' ' A' ' 7' ' ' LYS . 54.7 mt -77.96 -47.86 17.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.31 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.289 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.538 ' OG ' ' HA ' ' A' ' 10' ' ' LEU . 60.6 p -78.38 -29.32 47.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -27.03 68.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.879 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.756 0 CA-C-O 120.968 0.413 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HG2' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -82.56 -38.89 23.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.438 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.534 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -74.21 -35.24 63.89 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.625 179.189 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.587 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.22 -31.95 71.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.507 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.27 -54.31 41.91 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.926 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -65.92 -18.44 65.34 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.822 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -87.72 -5.62 58.59 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 68.3 mt -79.34 -52.7 7.76 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.58 -28.12 66.66 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.443 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 5.8 t -82.59 -18.67 40.49 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.704 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.58 -34.09 76.32 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? . . . . . 0 N--CA 1.449 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.029 179.591 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.265 0 CA-C-O 120.821 0.343 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.4 -37.9 36.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.287 0.565 . . . . 0.0 109.525 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.688 ' HD1' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -81.35 -17.11 50.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.692 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.833 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.42 -32.25 60.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -56.76 -53.67 55.15 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.343 178.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.548 ' CD ' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -61.3 -24.61 66.54 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.64 178.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.833 HD13 ' CE ' ' A' ' 7' ' ' LYS . 7.9 tt -78.35 -11.88 59.97 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.538 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 37.4 mt -73.84 -47.49 38.0 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.91 72.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.455 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.6 p -69.62 -37.92 77.02 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.347 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.86 -40.96 97.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.615 178.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.3 tmtp? . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.248 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.899 0 CA-C-O 121.242 0.544 . . . . 0.0 110.789 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.91 -31.67 61.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 3.1 m-30 -72.11 -30.66 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.711 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.608 ' CE ' ' HA ' ' A' ' 4' ' ' LYS . 3.0 mtmt -67.63 -36.74 81.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -48.34 -57.27 6.26 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.486 178.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -64.55 -18.98 65.34 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.146 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.31 -3.0 58.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 66.7 mt -82.13 -48.01 11.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.07 -31.92 69.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -79.42 -22.24 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.806 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.87 -34.23 77.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.449 -0.52 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.16 -179.653 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.566 ' N ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.5 -0.971 0 CA-C-O 120.888 0.375 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -33.33 39.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.376 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -84.84 -25.65 27.94 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.503 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -72.01 -32.04 66.79 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 175.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.529 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -55.17 -48.94 73.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 114.682 -1.145 . . . . 0.0 108.302 177.285 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -21.14 66.58 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.699 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -87.09 -5.49 59.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.057 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.529 ' HG ' ' HA ' ' A' ' 8' ' ' LYS . 57.2 mt -80.54 -44.79 18.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -33.76 73.46 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.425 ' HB3' ' HA ' ' A' ' 10' ' ' LEU . 17.7 t -78.18 -22.08 49.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.009 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.6 -32.78 71.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.874 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.67 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.918 0.389 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 168.67 -31.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.36 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.888 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 9.5 p90 -53.02 -12.1 0.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.612 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.61 ' CE ' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -88.37 -20.3 25.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.872 0.368 . . . . 0.0 110.35 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -78.8 -43.62 25.0 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -71.67 -27.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.378 178.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HE3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -67.57 -31.8 72.12 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.093 178.166 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -58.6 -43.97 89.71 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -22.62 66.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.229 -1.351 . . . . 0.0 109.732 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 6' ' ' PHE . 47.5 mt -81.14 -10.13 59.69 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 14' ' ' LEU . 45.0 mt -76.51 -48.26 20.04 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.538 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.719 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 26.1 t -76.02 -25.65 55.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.026 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.31 -29.94 70.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.8 tmtm? -79.99 -74.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.5 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 12.9 tpt180 -90.45 2.11 56.0 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 80.32 14.52 0.81 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.719 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.222 0 CA-C-N 115.094 -0.957 . . . . 99.989999999999995 112.562 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.826 ' HB1' ' HE2' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.69 0.281 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 166.79 -31.52 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.699 0.761 . . . . 0.0 110.202 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -44.81 -24.74 0.23 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.732 179.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.826 ' HE2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -76.91 -27.01 54.76 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.548 -178.43 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -73.36 -38.08 65.83 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.2 m-85 -63.35 -31.32 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -67.54 -28.93 68.22 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.176 178.307 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -58.19 -47.89 82.02 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 122.152 0.977 . . . . 0.0 109.364 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -24.43 67.06 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.208 -1.36 . . . . 0.0 109.652 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.642 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 14' ' ' LEU . 22.9 mt -76.67 -46.08 27.15 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -64.03 -31.83 73.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.268 178.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 25.2 p -83.27 -21.04 33.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.34 -31.68 69.06 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.63 -66.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.259 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 17' ' ' LEU . 11.1 tpt180 -91.14 0.98 57.42 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 80.79 14.49 0.7 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.124 0.488 . . . . 0.0 110.65 -179.081 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 121.035 -0.602 . . . . 99.989999999999995 112.754 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.695 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.806 0.336 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 171.11 -35.15 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.945 0.402 . . . . 0.0 110.746 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.748 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 6.3 p90 -50.39 -21.38 1.41 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.621 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -77.58 -25.86 50.33 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.544 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -73.59 -41.04 63.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -73.23 -19.57 61.05 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 119.152 -1.019 . . . . 0.0 109.655 178.271 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.765 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.65 -30.73 64.53 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -59.2 -50.03 75.58 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.459 1.124 . . . . 0.0 108.447 178.13 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -62.88 -22.84 67.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.626 -1.625 . . . . 0.0 109.724 178.268 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.765 HD13 ' CE ' ' A' ' 7' ' ' LYS . 7.6 tt -81.08 -11.01 59.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 14' ' ' LEU . 40.7 mt -74.4 -48.13 29.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 177.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -32.21 73.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.658 177.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.52 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 15.7 p -77.67 -24.82 49.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.939 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -68.9 -28.56 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -78.47 -69.23 0.57 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 17' ' ' LEU . 4.1 tpp180 -90.76 0.77 57.34 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER 80.23 16.65 0.71 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.127 0.489 . . . . 0.0 110.474 -179.008 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.33 0.229 0 CA-C-N 115.839 -0.618 . . . . 99.989999999999995 112.782 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.71 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.71 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 172.12 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.891 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.735 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 6.2 p90 -50.01 -21.09 1.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.978 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.549 ' CE ' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -78.15 -26.27 47.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.543 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -73.35 -41.63 63.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.735 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -72.67 -20.29 61.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.396 178.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.698 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.25 -29.42 63.9 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.561 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -60.87 -46.91 88.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 122.181 0.991 . . . . 0.0 108.517 178.59 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.15 -24.46 67.41 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.121 -1.4 . . . . 0.0 109.78 178.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 10' ' ' LEU . 6.7 tt -77.09 -13.81 59.9 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.732 ' O ' HD23 ' A' ' 14' ' ' LEU . 26.6 mt -71.97 -49.27 38.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.36 68.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.966 178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 17' ' ' LEU . 78.2 p -78.27 -25.24 46.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -25.68 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -82.89 -62.56 1.57 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.313 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 15' ' ' LYS . 9.2 tpt180 -91.12 0.38 57.55 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 82.22 10.71 0.69 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.808 0.337 . . . . 0.0 110.834 -179.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.332 0.321 0 C-N-CA 120.865 -0.683 . . . . 99.989999999999995 112.693 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.649 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 168.95 -30.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.11 0.481 . . . . 0.0 110.83 179.727 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.777 ' HA ' ' CE2' ' A' ' 6' ' ' PHE . 4.8 p90 -50.34 -17.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.171 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CE ' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -81.99 -24.1 35.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -75.12 -40.71 59.62 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.777 ' CE2' ' HA ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -76.81 -21.02 55.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.936 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -70.56 -32.98 70.6 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HD2' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.15 -53.44 57.04 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 122.727 1.251 . . . . 0.0 107.633 177.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -19.92 63.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.893 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.73 -10.73 57.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.011 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.584 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.4 mt -75.44 -46.72 30.96 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HE3' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -66.52 -36.18 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.645 177.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.655 ' O ' ' HA ' ' A' ' 17' ' ' LEU . 6.0 t -77.64 -17.97 57.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.763 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.97 -30.24 63.68 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.1 tmtm? -81.95 -73.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.655 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 10.3 tpt180 -91.04 1.64 56.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 76.36 18.39 1.84 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.713 0.768 . . . . 0.0 109.134 -177.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.649 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-N 114.982 -1.008 . . . . 99.989999999999995 112.671 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.807 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.728 0.299 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -173.07 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.002 0.429 . . . . 0.0 111.199 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.495 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 34.4 p90 -45.17 -24.56 0.27 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.09 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.53 ' NZ ' ' HB3' ' A' ' 1' ' ' ALA . 3.3 pttt -61.29 -38.17 85.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.674 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.674 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.76 -38.73 62.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 109.425 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 1.3 m-30 -67.52 -26.55 66.39 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.518 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.792 ' CD ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.06 -32.41 70.5 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -51.94 -54.16 32.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.384 1.088 . . . . 0.0 108.574 177.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -23.33 66.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.764 -1.562 . . . . 0.0 109.827 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -83.24 -7.39 59.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.893 178.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD21 ' CD ' ' A' ' 7' ' ' LYS . 54.7 mt -77.96 -47.86 17.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.31 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.289 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.538 ' OG ' ' HA ' ' A' ' 10' ' ' LEU . 60.6 p -78.38 -29.32 47.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.2 -27.03 68.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' C ' ' CD ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.93 -65.04 0.82 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.879 179.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.787 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -90.61 -39.66 12.38 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 133.22 10.5 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.209 1.004 . . . . 0.0 111.225 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.551 ' N ' HD13 ' A' ' 17' ' ' LEU . . . . . . . . 0 C--N 1.329 0.192 0 C-N-CA 120.678 -0.772 . . . . 99.989999999999995 112.397 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.791 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -175.56 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 111.32 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.5 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 97.7 m-85 -47.22 -21.29 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -66.85 -30.48 70.67 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HG2' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -82.56 -38.89 23.06 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.438 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.682 ' CZ ' ' HB2' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.21 -35.24 63.89 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.625 179.189 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.587 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -68.22 -31.95 71.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.507 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.27 -54.31 41.91 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.926 178.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -65.92 -18.44 65.34 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.822 179.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -87.72 -5.62 58.59 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 68.3 mt -79.34 -52.7 7.76 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.58 -28.12 66.66 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.801 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 5.8 t -82.59 -18.67 40.49 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.704 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -67.58 -34.09 76.32 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 4.1 tmtm? -84.36 -80.38 0.2 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.029 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 2.9 tpt85 -92.15 1.24 57.33 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 80.28 21.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -176.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.801 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.337 0.599 0 CA-C-N 114.686 -1.143 . . . . 99.989999999999995 112.662 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.763 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.751 0.31 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER 179.18 -32.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.051 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 6' ' ' PHE . 12.8 m-30 -49.67 -13.69 0.1 Allowed 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -83.95 -28.04 28.1 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.987 -178.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.4 -37.9 36.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.287 0.565 . . . . 0.0 109.525 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.688 ' HD1' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -81.35 -17.11 50.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.692 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.833 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.42 -32.25 60.66 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -56.76 -53.67 55.15 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 113.729 -1.578 . . . . 0.0 109.343 178.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.548 ' CD ' ' HA ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -61.3 -24.61 66.54 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.64 178.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.833 HD13 ' CE ' ' A' ' 7' ' ' LYS . 7.9 tt -78.35 -11.88 59.97 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' CD1' ' HA ' ' A' ' 8' ' ' LYS . 37.4 mt -73.84 -47.49 38.0 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.91 72.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.455 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.507 ' HB2' ' HA2' ' A' ' 18' ' ' GLY . 27.6 p -69.62 -37.92 77.02 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.347 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -63.86 -40.96 97.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.615 178.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.3 tmtp? -50.23 -63.53 1.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.248 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -90.37 -71.45 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.716 179.281 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 17' ' ' LEU . 1.9 pp 162.24 37.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA2' ' HB2' ' A' ' 13' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.947 -0.645 . . . . 99.989999999999995 112.581 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.815 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.803 0.335 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -172.42 -38.47 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 78.8 m-85 -38.44 -34.26 0.13 Allowed 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.429 0.633 . . . . 0.0 110.63 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HA ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -49.54 -42.54 44.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.789 -179.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.91 -31.67 61.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.616 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 3.1 m-30 -72.11 -30.66 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.711 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 3' ' ' TYR . 3.0 mtmt -67.63 -36.74 81.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -48.34 -57.27 6.26 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.486 178.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -64.55 -18.98 65.34 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.146 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.31 -3.0 58.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 7' ' ' LYS . 66.7 mt -82.13 -48.01 11.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 177.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.07 -31.92 69.75 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.77 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 1.2 p -79.42 -22.24 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.806 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.87 -34.23 77.35 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.2 tmtm? -81.99 -80.14 0.16 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.16 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 10.6 tpt180 -91.34 1.66 56.95 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER 78.89 21.3 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.77 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.333 0.397 0 CA-C-N 114.803 -1.09 . . . . 99.989999999999995 112.458 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.874 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.788 0.328 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -158.82 -50.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.084 0.469 . . . . 0.0 110.46 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.693 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 2.0 m-85 -55.41 -15.28 2.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.927 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.597 ' HG2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -78.48 -45.79 21.21 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.483 -179.471 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.01 -33.33 39.34 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.376 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.693 ' CD2' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -84.84 -25.65 27.94 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.503 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.689 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -72.01 -32.04 66.79 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 175.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' HA ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -55.17 -48.94 73.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 114.682 -1.145 . . . . 0.0 108.302 177.285 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -21.14 66.58 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.699 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -87.09 -5.49 59.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.057 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.529 ' HG ' ' HA ' ' A' ' 8' ' ' LYS . 57.2 mt -80.54 -44.79 18.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -33.76 73.46 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.786 ' HA ' ' N ' ' A' ' 18' ' ' GLY . 17.7 t -78.18 -22.08 49.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.009 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -69.6 -32.78 71.72 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 1.2 tmtm? -82.71 -80.22 0.17 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.598 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 1.6 tpt180 -91.41 1.76 56.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 79.09 23.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -177.241 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.786 ' N ' ' HA ' ' A' ' 13' ' ' SER . . . . . . . . 0 C--N 1.334 0.431 0 CA-C-N 114.879 -1.055 . . . . 99.989999999999995 112.17 179.975 . . . . . . . . 1 1 . 1 stop_ save_