data_1qfa_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 1qfa _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 123.078 1.418 . . . . 1.0 112.453 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.51 -41.6 84.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 101.772 -3.418 . . . . 1.0 101.772 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -44.85 -23.34 0.13 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.706 -1.133 . . . . 1.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 17.1 t80 -118.15 -25.85 6.53 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 114.279 1.214 . . . . 1.0 114.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.52 -37.61 13.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 124.203 1.954 . . . . 1.0 107.589 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.4 t30 -78.87 -41.22 30.43 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 111.019 -2.81 . . . . 1.0 107.073 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.43 -28.71 70.16 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 104.718 -2.327 . . . . 1.0 104.718 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.32 -29.38 66.09 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.534 -1.212 . . . . 1.0 109.422 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -38.4 26.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 104.901 -2.259 . . . . 1.0 104.901 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -64.15 -24.57 67.73 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.65 10.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.643 0.979 . . . . 1.0 113.643 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -100.93 -34.86 9.61 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 105.522 -2.029 . . . . 1.0 105.522 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 122.852 1.31 . . . . 1.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 103.244 -2.873 . . . . 1.0 103.244 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -55.62 -11.75 1.01 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.955 -1.02 . . . . 1.0 111.213 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 87.4 t80 -126.64 -25.55 3.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.689 0.996 . . . . 1.0 113.689 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -90.78 -38.16 13.18 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.538 -2.023 . . . . 1.0 105.538 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 6.2 t30 -90.69 -45.31 8.94 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 112.576 -2.102 . . . . 1.0 111.983 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.3 -31.01 53.0 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 123.647 1.689 . . . . 1.0 107.909 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 2.4 tm? -73.18 -39.57 65.49 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 111.359 -2.655 . . . . 1.0 109.086 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -27.59 60.7 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.938 -1.905 . . . . 1.0 107.42 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 29' ' ' ASN . 11.8 mmt85 -81.05 -28.54 35.3 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.228 -1.389 . . . . 1.0 109.191 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -23.68 21.14 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 118.16 -1.416 . . . . 1.0 108.071 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -100.75 -52.83 3.22 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 119.488 -0.885 . . . . 1.0 110.929 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.304 -1.399 0 N-CA-C 101.709 -3.441 . . . . 1.0 101.709 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.948 0.88 . . . . 1.0 112.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.59 -28.58 63.91 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 105.378 -2.082 . . . . 1.0 105.378 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -60.06 -17.52 39.96 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.037 -1.468 . . . . 1.0 107.037 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -122.38 -16.41 7.36 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.227 0.454 . . . . 1.0 112.227 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.49 -37.84 13.63 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 105.524 -2.028 . . . . 1.0 105.524 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.98 -41.13 12.55 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 112.611 -2.086 . . . . 1.0 111.566 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.33 -24.96 68.09 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 118.335 -1.346 . . . . 1.0 107.871 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.12 -41.59 11.56 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.467 -1.697 . . . . 1.0 110.505 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -25.94 60.85 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 115.288 -2.565 . . . . 1.0 108.836 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -10.63 59.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.724 -1.59 . . . . 1.0 110.894 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.48 -21.49 10.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.0 108.57 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -98.37 -48.98 4.84 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 115.37 -0.832 . . . . 1.0 109.395 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.308 -1.202 0 N-CA-C 102.967 -2.975 . . . . 1.0 102.967 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 123.275 1.512 . . . . 1.0 112.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.72 -41.18 83.9 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.697 -2.705 . . . . 1.0 103.697 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -46.0 -27.08 0.84 Allowed 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.472 -0.891 . . . . 1.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -114.11 -22.74 9.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 113.95 1.092 . . . . 1.0 113.95 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -38.52 12.35 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 124.485 2.088 . . . . 1.0 108.157 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.453 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 2.4 t30 -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 110.861 -2.881 . . . . 1.0 110.678 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.06 -16.68 29.21 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.45 -2.056 . . . . 1.0 105.45 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.83 -47.0 8.51 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 118.44 -0.79 . . . . 1.0 111.16 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -60.25 -25.68 65.86 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 115.691 -2.404 . . . . 1.0 108.615 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.83 -15.86 55.24 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 114.633 -1.167 . . . . 1.0 113.034 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.62 -24.44 11.75 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.593 0.711 . . . . 1.0 109.125 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -100.51 -45.61 5.48 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.152 -1.385 . . . . 1.0 114.202 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 123.462 1.601 . . . . 1.0 107.202 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 123.029 1.395 . . . . 1.0 112.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.0 mmm-85 -63.11 -40.93 99.06 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 102.338 -3.208 . . . . 1.0 102.338 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -46.7 -20.98 0.15 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.153 -1.385 . . . . 1.0 111.447 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 90.8 t80 -117.63 -30.81 5.37 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.053 1.501 . . . . 1.0 115.053 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 tp -90.96 -36.43 14.11 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 124.594 2.14 . . . . 1.0 107.808 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.0 t30 -78.46 -42.26 30.36 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 111.302 -2.681 . . . . 1.0 107.408 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.14 -28.78 69.89 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.163 -2.162 . . . . 1.0 105.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -68.73 -44.16 74.42 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.143 -1.799 . . . . 1.0 106.143 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -26.56 64.48 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 116.469 -2.093 . . . . 1.0 108.408 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.62 -31.94 57.73 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.77 -0.772 . . . . 1.0 111.197 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 -18.86 17.88 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.888 -0.725 . . . . 1.0 110.8 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.58 -48.54 4.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 118.248 -0.882 . . . . 1.0 109.93 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 103.675 -2.713 . . . . 1.0 103.675 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 122.602 1.191 . . . . 1.0 112.61 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -69.41 -33.29 72.78 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 104.15 -2.537 . . . . 1.0 104.15 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -64.48 -6.59 7.67 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.116 -1.434 . . . . 1.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 37.0 t80 -123.54 -25.69 4.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 114.173 1.175 . . . . 1.0 114.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.84 -37.13 13.11 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -90.41 -38.54 13.23 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 112.998 -1.91 . . . . 1.0 111.303 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.88 -30.05 70.61 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.066 -1.827 . . . . 1.0 106.066 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.03 -21.74 59.84 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.129 -1.396 . . . . 1.0 110.911 -179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -40.07 15.06 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.229 -2.878 . . . . 1.0 103.229 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -63.2 -18.37 63.43 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.385 -0.969 . . . . 1.0 108.385 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.15 -35.51 6.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.857 0.723 . . . . 1.0 112.888 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -29.76 12.15 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.223 -0.991 . . . . 1.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 104.956 -2.239 . . . . 1.0 104.956 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.926 0.869 . . . . 1.0 113.026 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.73 -43.51 79.81 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 102.801 -3.037 . . . . 1.0 102.801 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -42.73 -30.46 0.38 Allowed 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.622 1.201 . . . . 1.0 111.642 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 81.4 t80 -112.32 -25.26 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 115.598 1.703 . . . . 1.0 115.598 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -85.52 -38.31 18.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.155 -2.165 . . . . 1.0 105.155 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -67.82 -42.8 80.94 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.389 -2.078 . . . . 1.0 105.389 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.26 -24.34 64.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.916 -1.493 . . . . 1.0 107.406 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -78.75 -36.44 43.15 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.905 -1.118 . . . . 1.0 111.116 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -77.09 -26.98 54.0 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 116.154 -2.218 . . . . 1.0 106.808 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -9.16 59.88 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.63 -1.628 . . . . 1.0 111.356 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 -28.79 8.48 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -41.86 6.83 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 118.432 -0.794 . . . . 1.0 112.419 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 105.731 -1.951 . . . . 1.0 105.731 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 tp . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 123.262 1.506 . . . . 1.0 113.385 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.11 -42.05 94.34 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 102.773 -3.047 . . . . 1.0 102.773 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -43.94 -30.58 0.72 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.789 1.28 . . . . 1.0 112.519 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 61.4 t80 -111.02 -20.87 12.26 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.94 -1.482 . . . . 1.0 114.736 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.33 -37.92 12.95 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 124.332 2.015 . . . . 1.0 107.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -72.05 -40.51 68.32 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 111.244 -2.707 . . . . 1.0 106.643 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.2 -22.16 58.19 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.804 -1.554 . . . . 1.0 106.804 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -71.81 -40.59 69.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 118.592 -1.243 . . . . 1.0 108.938 -179.492 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 t -73.44 -32.71 64.52 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.302 -2.159 . . . . 1.0 106.532 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.76 -27.93 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.125 -1.03 . . . . 1.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -25.59 14.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 124.307 1.004 . . . . 1.0 112.297 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -100.3 -39.62 7.92 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.271 1.582 . . . . 1.0 115.271 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 105.069 -2.197 . . . . 1.0 105.069 179.548 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 122.854 1.312 . . . . 1.0 112.637 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -35.04 78.41 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 104.531 -2.396 . . . . 1.0 104.531 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -53.8 -21.74 8.08 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.97 -1.092 . . . . 1.0 111.326 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -118.64 -18.06 9.11 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 114.498 1.296 . . . . 1.0 114.498 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.08 -39.74 12.01 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.765 -1.939 . . . . 1.0 105.765 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -77.4 -40.79 42.4 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.108 -1.86 . . . . 1.0 107.63 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.72 -29.3 70.02 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -41.9 73.95 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -71.41 -33.44 69.45 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.572 -2.051 . . . . 1.0 107.865 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -21.3 61.61 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.782 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -27.4 12.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 123.903 0.752 . . . . 1.0 111.606 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.79 -42.0 6.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 118.241 -0.885 . . . . 1.0 113.214 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 105.893 -1.891 . . . . 1.0 105.893 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 122.551 1.167 . . . . 1.0 113.169 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.66 -39.71 91.67 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 102.711 -3.07 . . . . 1.0 102.711 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -44.94 -27.4 0.53 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.581 1.181 . . . . 1.0 111.801 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 46.2 t80 -112.09 -31.92 6.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.238 1.57 . . . . 1.0 115.238 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.09 -37.06 29.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.047 -1.834 . . . . 1.0 106.047 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -72.85 -34.16 66.59 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 111.965 -2.38 . . . . 1.0 106.077 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.17 -19.24 43.8 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.426 -1.324 . . . . 1.0 107.426 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.5 -43.39 69.78 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.015 -1.476 . . . . 1.0 107.015 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.4 t -71.3 -26.89 63.05 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 116.161 -2.216 . . . . 1.0 106.849 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -73.68 -30.89 63.16 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.806 -1.158 . . . . 1.0 111.887 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -20.51 16.42 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.58 -40.67 7.29 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 118.511 -0.757 . . . . 1.0 112.854 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.309 -1.165 0 N-CA-C 104.326 -2.472 . . . . 1.0 104.326 179.62 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 122.726 1.251 . . . . 1.0 112.571 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.57 -30.62 67.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.256 -2.498 . . . . 1.0 104.256 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -67.25 -4.04 9.5 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.356 -1.338 . . . . 1.0 109.439 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -125.69 -26.09 3.57 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -36.96 13.36 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.929 -1.878 . . . . 1.0 105.929 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.9 t30 -91.03 -42.27 10.62 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 113.762 -1.563 . . . . 1.0 112.039 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.83 -23.4 67.22 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 118.334 -1.346 . . . . 1.0 108.198 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.21 -21.65 36.31 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.537 -1.665 . . . . 1.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 t -74.46 -32.96 62.78 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 104.253 -2.499 . . . . 1.0 104.253 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -23.43 66.93 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 114.794 -1.094 . . . . 1.0 111.256 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -26.17 11.03 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.997 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -37.96 8.61 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 113.83 1.048 . . . . 1.0 113.83 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 103.094 -2.928 . . . . 1.0 103.094 179.634 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 122.741 1.258 . . . . 1.0 112.814 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.01 -35.55 74.44 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 104.422 -2.436 . . . . 1.0 104.422 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.96 -9.59 7.44 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 117.486 -1.685 . . . . 1.0 111.87 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 12.8 t80 -122.66 -25.83 4.62 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.052 0.76 . . . . 1.0 113.052 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.3 -35.42 14.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.545 -1.65 . . . . 1.0 106.545 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 3.0 t30 -83.98 -38.68 20.66 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 117.784 -1.567 . . . . 1.0 107.595 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.87 -27.95 69.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 105.073 -2.195 . . . . 1.0 105.073 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.11 -39.65 86.73 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.085 -1.08 . . . . 1.0 108.085 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 t -78.11 -31.71 50.12 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 116.946 -1.902 . . . . 1.0 107.248 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -74.67 -22.09 59.06 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.833 -1.147 . . . . 1.0 108.854 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -23.39 13.31 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.866 -0.734 . . . . 1.0 111.547 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -43.08 6.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 118.378 -0.82 . . . . 1.0 110.825 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 104.595 -2.372 . . . . 1.0 104.595 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 122.394 1.092 . . . . 1.0 112.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.97 -37.93 82.13 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 103.55 -2.759 . . . . 1.0 103.55 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.27 -24.72 1.93 Allowed 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 122.096 0.951 . . . . 1.0 111.531 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 55.5 t80 -113.78 -29.15 7.18 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.651 1.352 . . . . 1.0 114.651 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.65 -33.97 21.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -74.85 -43.25 55.52 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.429 -2.434 . . . . 1.0 104.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.67 -30.26 71.25 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.096 -1.816 . . . . 1.0 106.096 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.18 -39.56 75.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.825 -1.15 . . . . 1.0 107.938 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -71.52 -30.13 65.57 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 115.943 -2.303 . . . . 1.0 106.238 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -75.24 -23.94 57.6 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.017 -1.073 . . . . 1.0 110.485 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -30.58 13.76 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 118.966 -1.094 . . . . 1.0 110.983 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -44.05 6.04 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.322 1.014 . . . . 1.0 112.923 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 105.361 -2.089 . . . . 1.0 105.361 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 122.474 1.131 . . . . 1.0 112.628 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.29 -40.65 62.13 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 103.736 -2.69 . . . . 1.0 103.736 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -47.38 -25.52 1.05 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.408 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -116.09 -22.45 8.95 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -87.62 -38.94 15.48 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 124.125 1.917 . . . . 1.0 105.904 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -74.43 -40.3 62.06 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 111.324 -2.671 . . . . 1.0 107.722 -179.434 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 tt -73.18 -20.18 60.95 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.747 -1.205 . . . . 1.0 107.747 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -46.84 15.72 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 118.953 -1.099 . . . . 1.0 109.082 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -64.37 -29.57 70.63 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 115.95 -2.3 . . . . 1.0 107.634 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -73.1 -22.21 60.61 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.117 -0.947 . . . . 1.0 112.868 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -22.63 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 123.888 0.742 . . . . 1.0 111.769 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.29 -43.56 6.23 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 115.233 -0.894 . . . . 1.0 112.497 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 104.752 -2.314 . . . . 1.0 104.752 179.564 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 122.294 1.045 . . . . 1.0 112.16 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 8.3 mmm180 -63.06 -45.07 93.95 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 102.723 -3.066 . . . . 1.0 102.723 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -44.94 -23.44 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 113.053 -1.885 . . . . 1.0 112.647 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 16.1 t80 -121.82 -28.77 4.43 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.29 1.959 . . . . 1.0 116.29 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -91.04 -37.39 13.47 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.3 t30 -82.07 -40.66 21.66 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.173 -1.831 . . . . 1.0 108.177 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.75 -26.02 65.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 105.833 -1.914 . . . . 1.0 105.833 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -84.85 -43.83 13.79 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 113.76 -1.564 . . . . 1.0 112.081 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -70.28 -28.77 65.47 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 116.33 -2.148 . . . . 1.0 107.976 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -8.17 59.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 119.656 -0.818 . . . . 1.0 111.843 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -25.72 8.15 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.751 -0.833 . . . . 1.0 108.751 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -44.68 5.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.186 -0.912 . . . . 1.0 112.424 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 105.914 -1.884 . . . . 1.0 105.914 179.766 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 123.114 1.435 . . . . 1.0 112.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 7.7 mmm180 -75.68 -48.65 21.11 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 102.673 -3.084 . . . . 1.0 102.673 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -42.68 -30.25 0.36 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.067 -1.053 . . . . 1.0 113.106 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -109.99 -30.88 7.59 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 116.504 2.038 . . . . 1.0 116.504 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 123.91 1.814 . . . . 1.0 108.152 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.504 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -77.77 -25.63 49.22 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 111.512 -2.585 . . . . 1.0 109.683 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.55 -24.73 25.36 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.324 -2.473 . . . . 1.0 104.324 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -38.88 90.86 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.052 -1.092 . . . . 1.0 108.052 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.8 t -74.08 -31.21 62.73 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 117.367 -1.733 . . . . 1.0 107.202 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -21.92 57.95 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.504 -0.878 . . . . 1.0 110.434 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -30.44 11.66 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.841 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -39.81 7.76 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.896 1.073 . . . . 1.0 113.896 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 179.654 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 tp . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 123.067 1.413 . . . . 1.0 112.275 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.6 mmm180 -67.32 -43.61 81.2 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 102.346 -3.205 . . . . 1.0 102.346 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -47.13 -19.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 114.456 -1.247 . . . . 1.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -119.44 -34.69 3.75 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.917 1.451 . . . . 1.0 114.917 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -90.49 -33.23 16.04 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 123.299 1.523 . . . . 1.0 107.668 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.3 t30 -81.63 -37.55 27.38 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 113.285 -1.779 . . . . 1.0 109.262 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tt -72.74 -22.3 60.89 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.609 -1.256 . . . . 1.0 107.609 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -37.86 20.21 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.249 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 t -62.14 -30.77 71.27 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 116.141 -2.223 . . . . 1.0 107.677 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -68.16 -35.24 77.75 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.228 1.196 . . . . 1.0 114.228 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.27 18.43 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.449 -1.251 . . . . 1.0 111.676 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -49.97 4.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.432 -1.258 . . . . 1.0 114.281 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.306 -1.292 0 N-CA-C 103.022 -2.955 . . . . 1.0 103.022 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 123.867 1.794 . . . . 1.0 112.522 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.21 -39.08 86.23 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 103.135 -2.913 . . . . 1.0 103.135 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -47.32 -28.25 1.93 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.279 -0.968 . . . . 1.0 111.57 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -110.37 -24.25 10.73 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.938 1.458 . . . . 1.0 114.938 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 tp -90.65 -37.59 13.67 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.218 -1.771 . . . . 1.0 106.218 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -73.02 -40.43 65.18 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 112.724 -2.034 . . . . 1.0 106.505 -179.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 tt -66.62 -28.12 68.24 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.389 -1.708 . . . . 1.0 106.389 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -32.87 74.51 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.161 -0.927 . . . . 1.0 109.663 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 t -75.45 -18.78 59.78 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.815 -1.954 . . . . 1.0 106.886 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -78.49 -28.06 46.32 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.723 -1.591 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -101.64 -32.23 10.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 120.161 -0.616 . . . . 1.0 112.028 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -42.04 11.15 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.897 -1.121 . . . . 1.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 105.8 -1.926 . . . . 1.0 105.8 179.363 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 123.193 1.473 . . . . 1.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -68.03 -41.95 81.33 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 101.149 -3.649 . . . . 1.0 101.149 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -49.02 -18.65 0.32 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.937 -0.705 . . . . 1.0 110.773 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 76.8 t80 -115.27 -25.81 7.87 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.89 -40.46 11.16 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 125.292 2.472 . . . . 1.0 108.208 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -75.55 -31.25 60.0 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 109.701 -3.408 . . . . 1.0 110.181 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 tt -85.08 -19.17 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.893 -2.262 . . . . 1.0 104.893 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.09 -49.31 29.22 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 106.292 -1.744 . . . . 1.0 106.292 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.5 t -64.87 -23.73 67.32 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 117.707 -1.597 . . . . 1.0 108.548 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -33.36 32.09 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.124 -1.031 . . . . 1.0 111.715 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.35 21.09 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.671 -0.811 . . . . 1.0 110.569 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.3 -48.56 4.77 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 101.142 -3.651 . . . . 1.0 101.142 179.672 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 122.854 1.311 . . . . 1.0 113.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -30.34 70.43 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -59.74 -17.62 36.43 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.043 -1.463 . . . . 1.0 110.739 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -120.24 -17.32 8.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -39.89 12.35 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 1.0 105.692 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' ND2' ' HG3' ' A' ' 33' ' ' ARG . 4.3 t30 -86.74 -41.95 13.73 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.446 -2.161 . . . . 1.0 110.635 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.29 -23.1 65.45 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 118.981 -1.088 . . . . 1.0 108.14 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -86.14 -50.53 6.94 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-O 116.28 -1.819 . . . . 1.0 109.952 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.3 t -58.7 -34.23 71.07 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 115.62 -2.432 . . . . 1.0 108.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.441 ' HG3' ' ND2' ' A' ' 29' ' ' ASN . 1.1 mmm180 -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.352 -1.749 . . . . 1.0 112.127 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -7.51 13.25 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.928 1.084 . . . . 1.0 113.928 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.65 -50.47 3.87 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 114.586 -1.188 . . . . 1.0 108.696 179.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 104.637 -2.357 . . . . 1.0 104.637 179.559 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.458 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.212 -0.887 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -8.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.078 1.418 . . . . 1.0 112.453 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.51 -41.6 84.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 101.772 -3.418 . . . . 1.0 101.772 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -44.85 -23.34 0.13 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.706 -1.133 . . . . 1.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 17.1 t80 -118.15 -25.85 6.53 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 114.279 1.214 . . . . 1.0 114.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.52 -37.61 13.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 124.203 1.954 . . . . 1.0 107.589 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.4 t30 -78.87 -41.22 30.43 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 111.019 -2.81 . . . . 1.0 107.073 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.43 -28.71 70.16 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 104.718 -2.327 . . . . 1.0 104.718 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.32 -29.38 66.09 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.534 -1.212 . . . . 1.0 109.422 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -38.4 26.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 104.901 -2.259 . . . . 1.0 104.901 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -64.15 -24.57 67.73 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.65 10.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.643 0.979 . . . . 1.0 113.643 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -100.93 -34.86 9.61 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -91.92 53.43 2.19 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 105.522 -2.029 . . . . 1.0 105.522 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.68 0 O-C-N 120.85 -1.156 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.877 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -57.8 -13.3 4.01 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.852 1.31 . . . . 1.0 112.459 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 103.244 -2.873 . . . . 1.0 103.244 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -55.62 -11.75 1.01 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.955 -1.02 . . . . 1.0 111.213 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 87.4 t80 -126.64 -25.55 3.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.689 0.996 . . . . 1.0 113.689 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -90.78 -38.16 13.18 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.538 -2.023 . . . . 1.0 105.538 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 6.2 t30 -90.69 -45.31 8.94 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 112.576 -2.102 . . . . 1.0 111.983 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.3 -31.01 53.0 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 123.647 1.689 . . . . 1.0 107.909 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 2.4 tm? -73.18 -39.57 65.49 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 111.359 -2.655 . . . . 1.0 109.086 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -27.59 60.7 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.938 -1.905 . . . . 1.0 107.42 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 29' ' ' ASN . 11.8 mmt85 -81.05 -28.54 35.3 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.228 -1.389 . . . . 1.0 109.191 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -23.68 21.14 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 118.16 -1.416 . . . . 1.0 108.071 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -100.75 -52.83 3.22 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 119.488 -0.885 . . . . 1.0 110.929 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -91.29 57.17 3.3 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 101.709 -3.441 . . . . 1.0 101.709 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.534 0 O-C-N 120.436 -1.415 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.788 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.5 -4.17 10.71 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.948 0.88 . . . . 1.0 112.048 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.59 -28.58 63.91 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 105.378 -2.082 . . . . 1.0 105.378 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -60.06 -17.52 39.96 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.037 -1.468 . . . . 1.0 107.037 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -122.38 -16.41 7.36 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.227 0.454 . . . . 1.0 112.227 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.49 -37.84 13.63 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 105.524 -2.028 . . . . 1.0 105.524 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.98 -41.13 12.55 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 112.611 -2.086 . . . . 1.0 111.566 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.33 -24.96 68.09 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 118.335 -1.346 . . . . 1.0 107.871 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.12 -41.59 11.56 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.467 -1.697 . . . . 1.0 110.505 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -25.94 60.85 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 115.288 -2.565 . . . . 1.0 108.836 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -10.63 59.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.724 -1.59 . . . . 1.0 110.894 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.48 -21.49 10.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.0 108.57 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -98.37 -48.98 4.84 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 115.37 -0.832 . . . . 1.0 109.395 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -91.0 50.89 1.85 Allowed 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 102.967 -2.975 . . . . 1.0 102.967 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 O-C-N 120.558 -1.339 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.878 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -53.24 -20.71 4.4 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 123.275 1.512 . . . . 1.0 112.928 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.72 -41.18 83.9 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.697 -2.705 . . . . 1.0 103.697 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -46.0 -27.08 0.84 Allowed 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.472 -0.891 . . . . 1.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -114.11 -22.74 9.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 113.95 1.092 . . . . 1.0 113.95 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -38.52 12.35 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 124.485 2.088 . . . . 1.0 108.157 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.453 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 2.4 t30 -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 110.861 -2.881 . . . . 1.0 110.678 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -90.06 -16.68 29.21 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.45 -2.056 . . . . 1.0 105.45 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.83 -47.0 8.51 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 118.44 -0.79 . . . . 1.0 111.16 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -60.25 -25.68 65.86 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 115.691 -2.404 . . . . 1.0 108.615 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.83 -15.86 55.24 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 114.633 -1.167 . . . . 1.0 113.034 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.62 -24.44 11.75 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.593 0.711 . . . . 1.0 109.125 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -100.51 -45.61 5.48 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.152 -1.385 . . . . 1.0 114.202 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -86.24 48.23 1.59 Allowed 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 123.462 1.601 . . . . 1.0 107.202 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.569 0 O-C-N 120.288 -1.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.466 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.213 -0.83 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.16 -8.61 0.72 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 123.029 1.395 . . . . 1.0 112.242 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.0 mmm-85 -63.11 -40.93 99.06 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 102.338 -3.208 . . . . 1.0 102.338 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -46.7 -20.98 0.15 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.153 -1.385 . . . . 1.0 111.447 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 90.8 t80 -117.63 -30.81 5.37 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.053 1.501 . . . . 1.0 115.053 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 tp -90.96 -36.43 14.11 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 124.594 2.14 . . . . 1.0 107.808 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.0 t30 -78.46 -42.26 30.36 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 111.302 -2.681 . . . . 1.0 107.408 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.14 -28.78 69.89 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.163 -2.162 . . . . 1.0 105.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -68.73 -44.16 74.42 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.143 -1.799 . . . . 1.0 106.143 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -26.56 64.48 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 116.469 -2.093 . . . . 1.0 108.408 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.62 -31.94 57.73 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.77 -0.772 . . . . 1.0 111.197 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 -18.86 17.88 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.888 -0.725 . . . . 1.0 110.8 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.58 -48.54 4.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 118.248 -0.882 . . . . 1.0 109.93 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.73 55.09 3.06 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 103.675 -2.713 . . . . 1.0 103.675 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.216 -1.552 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.786 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 tp -63.77 -9.32 13.88 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 122.602 1.191 . . . . 1.0 112.61 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -69.41 -33.29 72.78 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 104.15 -2.537 . . . . 1.0 104.15 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -64.48 -6.59 7.67 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.116 -1.434 . . . . 1.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 37.0 t80 -123.54 -25.69 4.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 114.173 1.175 . . . . 1.0 114.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.84 -37.13 13.11 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -90.41 -38.54 13.23 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 112.998 -1.91 . . . . 1.0 111.303 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.88 -30.05 70.61 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.066 -1.827 . . . . 1.0 106.066 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.03 -21.74 59.84 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.129 -1.396 . . . . 1.0 110.911 -179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -40.07 15.06 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.229 -2.878 . . . . 1.0 103.229 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -63.2 -18.37 63.43 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.385 -0.969 . . . . 1.0 108.385 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.15 -35.51 6.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.857 0.723 . . . . 1.0 112.888 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -29.76 12.15 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.223 -0.991 . . . . 1.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -99.5 23.44 9.41 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 104.956 -2.239 . . . . 1.0 104.956 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 119.845 -1.784 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.414 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.21 -0.983 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -53.06 -14.34 0.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.926 0.869 . . . . 1.0 113.026 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.73 -43.51 79.81 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 102.801 -3.037 . . . . 1.0 102.801 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -42.73 -30.46 0.38 Allowed 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.622 1.201 . . . . 1.0 111.642 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 81.4 t80 -112.32 -25.26 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 115.598 1.703 . . . . 1.0 115.598 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -85.52 -38.31 18.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.155 -2.165 . . . . 1.0 105.155 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -67.82 -42.8 80.94 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.389 -2.078 . . . . 1.0 105.389 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.26 -24.34 64.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.916 -1.493 . . . . 1.0 107.406 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -78.75 -36.44 43.15 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.905 -1.118 . . . . 1.0 111.116 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -77.09 -26.98 54.0 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 116.154 -2.218 . . . . 1.0 106.808 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -9.16 59.88 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.63 -1.628 . . . . 1.0 111.356 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 -28.79 8.48 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -41.86 6.83 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 118.432 -0.794 . . . . 1.0 112.419 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -89.89 50.29 1.86 Allowed 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 105.731 -1.951 . . . . 1.0 105.731 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 O-C-N 120.313 -1.492 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.426 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.211 -0.966 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 tp -53.79 -13.79 0.79 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 123.262 1.506 . . . . 1.0 113.385 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' ACE . 0.0 OUTLIER -65.11 -42.05 94.34 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 102.773 -3.047 . . . . 1.0 102.773 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -43.94 -30.58 0.72 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.789 1.28 . . . . 1.0 112.519 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 61.4 t80 -111.02 -20.87 12.26 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.94 -1.482 . . . . 1.0 114.736 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.33 -37.92 12.95 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 124.332 2.015 . . . . 1.0 107.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -72.05 -40.51 68.32 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 111.244 -2.707 . . . . 1.0 106.643 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.2 -22.16 58.19 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.804 -1.554 . . . . 1.0 106.804 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -71.81 -40.59 69.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 118.592 -1.243 . . . . 1.0 108.938 -179.492 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 t -73.44 -32.71 64.52 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.302 -2.159 . . . . 1.0 106.532 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.76 -27.93 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.125 -1.03 . . . . 1.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -25.59 14.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 124.307 1.004 . . . . 1.0 112.297 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -100.3 -39.62 7.92 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.271 1.582 . . . . 1.0 115.271 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.1 -17.42 43.17 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 105.069 -2.197 . . . . 1.0 105.069 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 119.854 -1.779 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.829 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.22 -13.49 7.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 122.854 1.312 . . . . 1.0 112.637 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -35.04 78.41 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 104.531 -2.396 . . . . 1.0 104.531 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -53.8 -21.74 8.08 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.97 -1.092 . . . . 1.0 111.326 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -118.64 -18.06 9.11 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 114.498 1.296 . . . . 1.0 114.498 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.08 -39.74 12.01 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.765 -1.939 . . . . 1.0 105.765 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -77.4 -40.79 42.4 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.108 -1.86 . . . . 1.0 107.63 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.72 -29.3 70.02 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -41.9 73.95 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -71.41 -33.44 69.45 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.572 -2.051 . . . . 1.0 107.865 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -21.3 61.61 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.782 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -27.4 12.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 123.903 0.752 . . . . 1.0 111.606 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.79 -42.0 6.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 118.241 -0.885 . . . . 1.0 113.214 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.71 61.62 6.42 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.893 -1.891 . . . . 1.0 105.893 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.594 0 O-C-N 119.939 -1.726 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.406 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.212 -0.912 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.59 -12.89 1.33 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 122.551 1.167 . . . . 1.0 113.169 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.66 -39.71 91.67 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 102.711 -3.07 . . . . 1.0 102.711 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -44.94 -27.4 0.53 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.581 1.181 . . . . 1.0 111.801 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 46.2 t80 -112.09 -31.92 6.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.238 1.57 . . . . 1.0 115.238 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.09 -37.06 29.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.047 -1.834 . . . . 1.0 106.047 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -72.85 -34.16 66.59 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 111.965 -2.38 . . . . 1.0 106.077 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.17 -19.24 43.8 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.426 -1.324 . . . . 1.0 107.426 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.5 -43.39 69.78 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.015 -1.476 . . . . 1.0 107.015 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.4 t -71.3 -26.89 63.05 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 116.161 -2.216 . . . . 1.0 106.849 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -73.68 -30.89 63.16 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.806 -1.158 . . . . 1.0 111.887 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -20.51 16.42 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.58 -40.67 7.29 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 118.511 -0.757 . . . . 1.0 112.854 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -92.64 6.71 46.35 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 104.326 -2.472 . . . . 1.0 104.326 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.507 0 O-C-N 119.585 -1.947 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.8 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.58 -10.05 16.5 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.726 1.251 . . . . 1.0 112.571 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.57 -30.62 67.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.256 -2.498 . . . . 1.0 104.256 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -67.25 -4.04 9.5 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.356 -1.338 . . . . 1.0 109.439 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -125.69 -26.09 3.57 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -36.96 13.36 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.929 -1.878 . . . . 1.0 105.929 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.9 t30 -91.03 -42.27 10.62 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 113.762 -1.563 . . . . 1.0 112.039 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.83 -23.4 67.22 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 118.334 -1.346 . . . . 1.0 108.198 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.21 -21.65 36.31 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.537 -1.665 . . . . 1.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 t -74.46 -32.96 62.78 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 104.253 -2.499 . . . . 1.0 104.253 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -23.43 66.93 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 114.794 -1.094 . . . . 1.0 111.256 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -26.17 11.03 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.997 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -37.96 8.61 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 113.83 1.048 . . . . 1.0 113.83 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.54 -13.56 39.84 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 103.094 -2.928 . . . . 1.0 103.094 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 120.158 -1.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.827 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.54 -10.12 4.66 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.741 1.258 . . . . 1.0 112.814 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.01 -35.55 74.44 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 104.422 -2.436 . . . . 1.0 104.422 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.96 -9.59 7.44 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 117.486 -1.685 . . . . 1.0 111.87 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 12.8 t80 -122.66 -25.83 4.62 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.052 0.76 . . . . 1.0 113.052 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.3 -35.42 14.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.545 -1.65 . . . . 1.0 106.545 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 3.0 t30 -83.98 -38.68 20.66 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 117.784 -1.567 . . . . 1.0 107.595 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.87 -27.95 69.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 105.073 -2.195 . . . . 1.0 105.073 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.11 -39.65 86.73 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.085 -1.08 . . . . 1.0 108.085 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 t -78.11 -31.71 50.12 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 116.946 -1.902 . . . . 1.0 107.248 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -74.67 -22.09 59.06 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.833 -1.147 . . . . 1.0 108.854 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -23.39 13.31 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.866 -0.734 . . . . 1.0 111.547 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -43.08 6.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 118.378 -0.82 . . . . 1.0 110.825 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.91 58.71 5.22 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 104.595 -2.372 . . . . 1.0 104.595 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.203 -1.561 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.416 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.212 -0.891 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.46 -11.93 1.49 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 122.394 1.092 . . . . 1.0 112.928 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.97 -37.93 82.13 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 103.55 -2.759 . . . . 1.0 103.55 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.27 -24.72 1.93 Allowed 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 122.096 0.951 . . . . 1.0 111.531 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 55.5 t80 -113.78 -29.15 7.18 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.651 1.352 . . . . 1.0 114.651 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.65 -33.97 21.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -74.85 -43.25 55.52 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.429 -2.434 . . . . 1.0 104.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.67 -30.26 71.25 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.096 -1.816 . . . . 1.0 106.096 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.18 -39.56 75.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.825 -1.15 . . . . 1.0 107.938 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -71.52 -30.13 65.57 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 115.943 -2.303 . . . . 1.0 106.238 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -75.24 -23.94 57.6 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.017 -1.073 . . . . 1.0 110.485 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -30.58 13.76 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 118.966 -1.094 . . . . 1.0 110.983 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -44.05 6.04 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.322 1.014 . . . . 1.0 112.923 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -86.7 50.67 2.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.361 -2.089 . . . . 1.0 105.361 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 O-C-N 119.75 -1.844 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.843 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.29 -19.76 5.93 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 122.474 1.131 . . . . 1.0 112.628 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.29 -40.65 62.13 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 103.736 -2.69 . . . . 1.0 103.736 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -47.38 -25.52 1.05 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.408 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -116.09 -22.45 8.95 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -87.62 -38.94 15.48 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 124.125 1.917 . . . . 1.0 105.904 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -74.43 -40.3 62.06 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 111.324 -2.671 . . . . 1.0 107.722 -179.434 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 tt -73.18 -20.18 60.95 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.747 -1.205 . . . . 1.0 107.747 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -46.84 15.72 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 118.953 -1.099 . . . . 1.0 109.082 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -64.37 -29.57 70.63 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 115.95 -2.3 . . . . 1.0 107.634 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -73.1 -22.21 60.61 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.117 -0.947 . . . . 1.0 112.868 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -22.63 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 123.888 0.742 . . . . 1.0 111.769 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.29 -43.56 6.23 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 115.233 -0.894 . . . . 1.0 112.497 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.59 -6.37 59.17 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 104.752 -2.314 . . . . 1.0 104.752 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.544 0 O-C-N 119.985 -1.697 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.481 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.809 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.74 -9.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.294 1.045 . . . . 1.0 112.16 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 23' ' ' ACE . 8.3 mmm180 -63.06 -45.07 93.95 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 102.723 -3.066 . . . . 1.0 102.723 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -44.94 -23.44 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 113.053 -1.885 . . . . 1.0 112.647 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 16.1 t80 -121.82 -28.77 4.43 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.29 1.959 . . . . 1.0 116.29 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -91.04 -37.39 13.47 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.3 t30 -82.07 -40.66 21.66 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.173 -1.831 . . . . 1.0 108.177 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.75 -26.02 65.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 105.833 -1.914 . . . . 1.0 105.833 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -84.85 -43.83 13.79 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 113.76 -1.564 . . . . 1.0 112.081 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 t -70.28 -28.77 65.47 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 116.33 -2.148 . . . . 1.0 107.976 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -8.17 59.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 119.656 -0.818 . . . . 1.0 111.843 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -25.72 8.15 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.751 -0.833 . . . . 1.0 108.751 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -44.68 5.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.186 -0.912 . . . . 1.0 112.424 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.43 57.98 3.91 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 105.914 -1.884 . . . . 1.0 105.914 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.633 0 O-C-N 119.197 -2.189 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.413 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.768 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.19 -11.36 1.64 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 123.114 1.435 . . . . 1.0 112.918 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 7.7 mmm180 -75.68 -48.65 21.11 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 102.673 -3.084 . . . . 1.0 102.673 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -42.68 -30.25 0.36 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.067 -1.053 . . . . 1.0 113.106 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -109.99 -30.88 7.59 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 116.504 2.038 . . . . 1.0 116.504 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 123.91 1.814 . . . . 1.0 108.152 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.504 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -77.77 -25.63 49.22 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 111.512 -2.585 . . . . 1.0 109.683 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.55 -24.73 25.36 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.324 -2.473 . . . . 1.0 104.324 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -38.88 90.86 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.052 -1.092 . . . . 1.0 108.052 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.8 t -74.08 -31.21 62.73 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 117.367 -1.733 . . . . 1.0 107.202 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -21.92 57.95 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.504 -0.878 . . . . 1.0 110.434 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -30.44 11.66 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.841 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -39.81 7.76 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.896 1.073 . . . . 1.0 113.896 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.08 -1.47 57.41 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.556 0 O-C-N 119.445 -2.034 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.472 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.32 -7.51 1.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 123.067 1.413 . . . . 1.0 112.275 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.6 mmm180 -67.32 -43.61 81.2 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 102.346 -3.205 . . . . 1.0 102.346 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -47.13 -19.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 114.456 -1.247 . . . . 1.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -119.44 -34.69 3.75 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.917 1.451 . . . . 1.0 114.917 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -90.49 -33.23 16.04 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 123.299 1.523 . . . . 1.0 107.668 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.3 t30 -81.63 -37.55 27.38 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 113.285 -1.779 . . . . 1.0 109.262 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tt -72.74 -22.3 60.89 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.609 -1.256 . . . . 1.0 107.609 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -37.86 20.21 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.249 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 t -62.14 -30.77 71.27 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 116.141 -2.223 . . . . 1.0 107.677 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -68.16 -35.24 77.75 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.228 1.196 . . . . 1.0 114.228 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.27 18.43 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.449 -1.251 . . . . 1.0 111.676 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -49.97 4.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.432 -1.258 . . . . 1.0 114.281 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -81.84 -20.96 37.9 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 103.022 -2.955 . . . . 1.0 103.022 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 120.368 -1.458 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.416 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.211 -0.93 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.42 -13.08 1.99 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 123.867 1.794 . . . . 1.0 112.522 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.21 -39.08 86.23 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 103.135 -2.913 . . . . 1.0 103.135 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -47.32 -28.25 1.93 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.279 -0.968 . . . . 1.0 111.57 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -110.37 -24.25 10.73 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.938 1.458 . . . . 1.0 114.938 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 tp -90.65 -37.59 13.67 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.218 -1.771 . . . . 1.0 106.218 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -73.02 -40.43 65.18 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 112.724 -2.034 . . . . 1.0 106.505 -179.686 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 tt -66.62 -28.12 68.24 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.389 -1.708 . . . . 1.0 106.389 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -32.87 74.51 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.161 -0.927 . . . . 1.0 109.663 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 t -75.45 -18.78 59.78 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.815 -1.954 . . . . 1.0 106.886 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -78.49 -28.06 46.32 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.723 -1.591 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -101.64 -32.23 10.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 120.161 -0.616 . . . . 1.0 112.028 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -42.04 11.15 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.897 -1.121 . . . . 1.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -84.35 -1.76 55.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 105.8 -1.926 . . . . 1.0 105.8 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.519 0 O-C-N 119.408 -2.058 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . 0.411 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.212 -0.885 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.75 -11.27 2.99 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 123.193 1.473 . . . . 1.0 112.526 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -68.03 -41.95 81.33 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 101.149 -3.649 . . . . 1.0 101.149 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -49.02 -18.65 0.32 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.937 -0.705 . . . . 1.0 110.773 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 76.8 t80 -115.27 -25.81 7.87 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.89 -40.46 11.16 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 125.292 2.472 . . . . 1.0 108.208 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -75.55 -31.25 60.0 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 109.701 -3.408 . . . . 1.0 110.181 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 tt -85.08 -19.17 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.893 -2.262 . . . . 1.0 104.893 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.09 -49.31 29.22 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 106.292 -1.744 . . . . 1.0 106.292 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.5 t -64.87 -23.73 67.32 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 117.707 -1.597 . . . . 1.0 108.548 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -33.36 32.09 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.124 -1.031 . . . . 1.0 111.715 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.35 21.09 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.671 -0.811 . . . . 1.0 110.569 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.3 -48.56 4.77 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -95.29 51.41 1.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 101.142 -3.651 . . . . 1.0 101.142 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.573 0 O-C-N 121.026 -1.047 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.801 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.8 -10.68 13.89 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.854 1.311 . . . . 1.0 113.217 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -30.34 70.43 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -59.74 -17.62 36.43 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.043 -1.463 . . . . 1.0 110.739 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -120.24 -17.32 8.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -39.89 12.35 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 1.0 105.692 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' ND2' ' HG3' ' A' ' 33' ' ' ARG . 4.3 t30 -86.74 -41.95 13.73 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.446 -2.161 . . . . 1.0 110.635 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.29 -23.1 65.45 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 118.981 -1.088 . . . . 1.0 108.14 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -86.14 -50.53 6.94 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-O 116.28 -1.819 . . . . 1.0 109.952 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.3 t -58.7 -34.23 71.07 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 115.62 -2.432 . . . . 1.0 108.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.441 ' HG3' ' ND2' ' A' ' 29' ' ' ASN . 1.1 mmm180 -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.352 -1.749 . . . . 1.0 112.127 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -7.51 13.25 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.928 1.084 . . . . 1.0 113.928 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.65 -50.47 3.87 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 114.586 -1.188 . . . . 1.0 108.696 179.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.01 -11.57 59.77 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 104.637 -2.357 . . . . 1.0 104.637 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 119.558 -1.964 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 123.078 1.418 . . . . 1.0 112.453 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.51 -41.6 84.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 101.772 -3.418 . . . . 1.0 101.772 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -44.85 -23.34 0.13 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.706 -1.133 . . . . 1.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 17.1 t80 -118.15 -25.85 6.53 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 114.279 1.214 . . . . 1.0 114.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.52 -37.61 13.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 124.203 1.954 . . . . 1.0 107.589 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.4 t30 -78.87 -41.22 30.43 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 111.019 -2.81 . . . . 1.0 107.073 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.43 -28.71 70.16 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 104.718 -2.327 . . . . 1.0 104.718 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.32 -29.38 66.09 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.534 -1.212 . . . . 1.0 109.422 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -38.4 26.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 104.901 -2.259 . . . . 1.0 104.901 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -64.15 -24.57 67.73 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.65 10.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.643 0.979 . . . . 1.0 113.643 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -100.93 -34.86 9.61 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 105.522 -2.029 . . . . 1.0 105.522 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 122.852 1.31 . . . . 1.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 103.244 -2.873 . . . . 1.0 103.244 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -55.62 -11.75 1.01 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.955 -1.02 . . . . 1.0 111.213 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 87.4 t80 -126.64 -25.55 3.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.689 0.996 . . . . 1.0 113.689 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -90.78 -38.16 13.18 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.538 -2.023 . . . . 1.0 105.538 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 6.2 t30 -90.69 -45.31 8.94 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 112.576 -2.102 . . . . 1.0 111.983 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 30' ' ' LEU . 8.3 tt -54.3 -31.01 53.0 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 123.647 1.689 . . . . 1.0 107.909 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 2.4 tm? -73.18 -39.57 65.49 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 111.359 -2.655 . . . . 1.0 109.086 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -27.59 60.7 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.938 -1.905 . . . . 1.0 107.42 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 29' ' ' ASN . 11.8 mmt85 -81.05 -28.54 35.3 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.228 -1.389 . . . . 1.0 109.191 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.26 -23.68 21.14 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 118.16 -1.416 . . . . 1.0 108.071 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -100.75 -52.83 3.22 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 119.488 -0.885 . . . . 1.0 110.929 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.304 -1.399 0 N-CA-C 101.709 -3.441 . . . . 1.0 101.709 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.948 0.88 . . . . 1.0 112.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.59 -28.58 63.91 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 105.378 -2.082 . . . . 1.0 105.378 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -60.06 -17.52 39.96 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.037 -1.468 . . . . 1.0 107.037 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -122.38 -16.41 7.36 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.227 0.454 . . . . 1.0 112.227 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.49 -37.84 13.63 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 105.524 -2.028 . . . . 1.0 105.524 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.98 -41.13 12.55 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 112.611 -2.086 . . . . 1.0 111.566 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.33 -24.96 68.09 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 118.335 -1.346 . . . . 1.0 107.871 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.12 -41.59 11.56 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.467 -1.697 . . . . 1.0 110.505 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -25.94 60.85 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 115.288 -2.565 . . . . 1.0 108.836 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -10.63 59.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.724 -1.59 . . . . 1.0 110.894 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.48 -21.49 10.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.0 108.57 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -98.37 -48.98 4.84 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 115.37 -0.832 . . . . 1.0 109.395 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.308 -1.202 0 N-CA-C 102.967 -2.975 . . . . 1.0 102.967 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 123.275 1.512 . . . . 1.0 112.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.72 -41.18 83.9 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.697 -2.705 . . . . 1.0 103.697 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -46.0 -27.08 0.84 Allowed 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.472 -0.891 . . . . 1.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -114.11 -22.74 9.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 113.95 1.092 . . . . 1.0 113.95 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -91.74 -38.52 12.35 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 124.485 2.088 . . . . 1.0 108.157 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 2.4 t30 -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 110.861 -2.881 . . . . 1.0 110.678 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 30' ' ' LEU . 10.5 tt -90.06 -16.68 29.21 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.45 -2.056 . . . . 1.0 105.45 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -88.83 -47.0 8.51 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 118.44 -0.79 . . . . 1.0 111.16 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -60.25 -25.68 65.86 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 115.691 -2.404 . . . . 1.0 108.615 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.83 -15.86 55.24 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 114.633 -1.167 . . . . 1.0 113.034 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.62 -24.44 11.75 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.593 0.711 . . . . 1.0 109.125 179.525 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -100.51 -45.61 5.48 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.152 -1.385 . . . . 1.0 114.202 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 123.462 1.601 . . . . 1.0 107.202 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 123.029 1.395 . . . . 1.0 112.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.0 mmm-85 -63.11 -40.93 99.06 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 102.338 -3.208 . . . . 1.0 102.338 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -46.7 -20.98 0.15 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.153 -1.385 . . . . 1.0 111.447 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 90.8 t80 -117.63 -30.81 5.37 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.053 1.501 . . . . 1.0 115.053 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 tp -90.96 -36.43 14.11 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 124.594 2.14 . . . . 1.0 107.808 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.0 t30 -78.46 -42.26 30.36 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 111.302 -2.681 . . . . 1.0 107.408 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.14 -28.78 69.89 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.163 -2.162 . . . . 1.0 105.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -68.73 -44.16 74.42 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.143 -1.799 . . . . 1.0 106.143 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -69.63 -26.56 64.48 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 116.469 -2.093 . . . . 1.0 108.408 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.62 -31.94 57.73 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.77 -0.772 . . . . 1.0 111.197 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -98.61 -18.86 17.88 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.888 -0.725 . . . . 1.0 110.8 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.58 -48.54 4.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 118.248 -0.882 . . . . 1.0 109.93 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 103.675 -2.713 . . . . 1.0 103.675 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 122.602 1.191 . . . . 1.0 112.61 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -69.41 -33.29 72.78 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 104.15 -2.537 . . . . 1.0 104.15 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -64.48 -6.59 7.67 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.116 -1.434 . . . . 1.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 37.0 t80 -123.54 -25.69 4.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 114.173 1.175 . . . . 1.0 114.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.84 -37.13 13.11 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 20.4 t-20 -90.41 -38.54 13.23 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 112.998 -1.91 . . . . 1.0 111.303 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.88 -30.05 70.61 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.066 -1.827 . . . . 1.0 106.066 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.03 -21.74 59.84 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.129 -1.396 . . . . 1.0 110.911 -179.636 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -40.07 15.06 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.229 -2.878 . . . . 1.0 103.229 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -63.2 -18.37 63.43 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.385 -0.969 . . . . 1.0 108.385 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.15 -35.51 6.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.857 0.723 . . . . 1.0 112.888 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -29.76 12.15 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.223 -0.991 . . . . 1.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 104.956 -2.239 . . . . 1.0 104.956 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.926 0.869 . . . . 1.0 113.026 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.73 -43.51 79.81 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 102.801 -3.037 . . . . 1.0 102.801 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -42.73 -30.46 0.38 Allowed 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.622 1.201 . . . . 1.0 111.642 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 81.4 t80 -112.32 -25.26 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 115.598 1.703 . . . . 1.0 115.598 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -85.52 -38.31 18.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.155 -2.165 . . . . 1.0 105.155 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -67.82 -42.8 80.94 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.389 -2.078 . . . . 1.0 105.389 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.26 -24.34 64.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.916 -1.493 . . . . 1.0 107.406 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -78.75 -36.44 43.15 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.905 -1.118 . . . . 1.0 111.116 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -77.09 -26.98 54.0 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 116.154 -2.218 . . . . 1.0 106.808 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -9.16 59.88 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.63 -1.628 . . . . 1.0 111.356 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 -28.79 8.48 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.45 -41.86 6.83 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 118.432 -0.794 . . . . 1.0 112.419 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 105.731 -1.951 . . . . 1.0 105.731 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 tp . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 123.262 1.506 . . . . 1.0 113.385 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.11 -42.05 94.34 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 102.773 -3.047 . . . . 1.0 102.773 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -43.94 -30.58 0.72 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.789 1.28 . . . . 1.0 112.519 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 61.4 t80 -111.02 -20.87 12.26 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.94 -1.482 . . . . 1.0 114.736 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.33 -37.92 12.95 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 124.332 2.015 . . . . 1.0 107.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -72.05 -40.51 68.32 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 111.244 -2.707 . . . . 1.0 106.643 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.2 -22.16 58.19 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.804 -1.554 . . . . 1.0 106.804 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -71.81 -40.59 69.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 118.592 -1.243 . . . . 1.0 108.938 -179.492 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 t -73.44 -32.71 64.52 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.302 -2.159 . . . . 1.0 106.532 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.76 -27.93 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.125 -1.03 . . . . 1.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -25.59 14.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 124.307 1.004 . . . . 1.0 112.297 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -100.3 -39.62 7.92 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.271 1.582 . . . . 1.0 115.271 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 105.069 -2.197 . . . . 1.0 105.069 179.548 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 28' ' ' LEU . 1.1 tm? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 122.854 1.312 . . . . 1.0 112.637 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -35.04 78.41 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 104.531 -2.396 . . . . 1.0 104.531 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -53.8 -21.74 8.08 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.97 -1.092 . . . . 1.0 111.326 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -118.64 -18.06 9.11 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 114.498 1.296 . . . . 1.0 114.498 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.674 ' HB2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -91.08 -39.74 12.01 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.765 -1.939 . . . . 1.0 105.765 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -77.4 -40.79 42.4 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.108 -1.86 . . . . 1.0 107.63 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.72 -29.3 70.02 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -41.9 73.95 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -71.41 -33.44 69.45 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.572 -2.051 . . . . 1.0 107.865 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -71.97 -21.3 61.61 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.782 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -27.4 12.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 123.903 0.752 . . . . 1.0 111.606 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.79 -42.0 6.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 118.241 -0.885 . . . . 1.0 113.214 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 105.893 -1.891 . . . . 1.0 105.893 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 122.551 1.167 . . . . 1.0 113.169 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.66 -39.71 91.67 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 102.711 -3.07 . . . . 1.0 102.711 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -44.94 -27.4 0.53 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.581 1.181 . . . . 1.0 111.801 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.523 ' CE1' HD23 ' A' ' 31' ' ' LEU . 46.2 t80 -112.09 -31.92 6.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.238 1.57 . . . . 1.0 115.238 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.09 -37.06 29.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.047 -1.834 . . . . 1.0 106.047 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 20.8 t-20 -72.85 -34.16 66.59 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 111.965 -2.38 . . . . 1.0 106.077 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.17 -19.24 43.8 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.426 -1.324 . . . . 1.0 107.426 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.5 -43.39 69.78 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.015 -1.476 . . . . 1.0 107.015 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.4 t -71.3 -26.89 63.05 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 116.161 -2.216 . . . . 1.0 106.849 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 33' ' ' ARG . 1.5 mmt85 -73.68 -30.89 63.16 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.806 -1.158 . . . . 1.0 111.887 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.44 -20.51 16.42 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -100.58 -40.67 7.29 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 118.511 -0.757 . . . . 1.0 112.854 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.309 -1.165 0 N-CA-C 104.326 -2.472 . . . . 1.0 104.326 179.62 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 122.726 1.251 . . . . 1.0 112.571 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.57 -30.62 67.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.256 -2.498 . . . . 1.0 104.256 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 7.4 t60 -67.25 -4.04 9.5 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.356 -1.338 . . . . 1.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 23.3 t80 -125.69 -26.09 3.57 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -36.96 13.36 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.929 -1.878 . . . . 1.0 105.929 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.601 ' O ' HG22 ' A' ' 32' ' ' THR . 1.9 t30 -91.03 -42.27 10.62 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 113.762 -1.563 . . . . 1.0 112.039 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 30' ' ' LEU . 9.8 tt -64.83 -23.4 67.22 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 118.334 -1.346 . . . . 1.0 108.198 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -82.21 -21.65 36.31 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.537 -1.665 . . . . 1.0 110.407 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 29' ' ' ASN . 7.2 t -74.46 -32.96 62.78 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 104.253 -2.499 . . . . 1.0 104.253 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -65.44 -23.43 66.93 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 114.794 -1.094 . . . . 1.0 111.256 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -26.17 11.03 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.997 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -37.96 8.61 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 113.83 1.048 . . . . 1.0 113.83 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 103.094 -2.928 . . . . 1.0 103.094 179.634 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 122.741 1.258 . . . . 1.0 112.814 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.01 -35.55 74.44 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 104.422 -2.436 . . . . 1.0 104.422 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.96 -9.59 7.44 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 117.486 -1.685 . . . . 1.0 111.87 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 12.8 t80 -122.66 -25.83 4.62 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.052 0.76 . . . . 1.0 113.052 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.3 -35.42 14.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.545 -1.65 . . . . 1.0 106.545 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 22.7 t-20 -83.98 -38.68 20.66 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 117.784 -1.567 . . . . 1.0 107.595 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.87 -27.95 69.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 105.073 -2.195 . . . . 1.0 105.073 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.11 -39.65 86.73 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.085 -1.08 . . . . 1.0 108.085 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 29' ' ' ASN . 1.6 t -78.11 -31.71 50.12 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 116.946 -1.902 . . . . 1.0 107.248 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -74.67 -22.09 59.06 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.833 -1.147 . . . . 1.0 108.854 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -23.39 13.31 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.866 -0.734 . . . . 1.0 111.547 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -43.08 6.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 118.378 -0.82 . . . . 1.0 110.825 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 104.595 -2.372 . . . . 1.0 104.595 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 122.394 1.092 . . . . 1.0 112.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.97 -37.93 82.13 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 103.55 -2.759 . . . . 1.0 103.55 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.27 -24.72 1.93 Allowed 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 122.096 0.951 . . . . 1.0 111.531 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 55.5 t80 -113.78 -29.15 7.18 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.651 1.352 . . . . 1.0 114.651 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.65 -33.97 21.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -74.85 -43.25 55.52 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.429 -2.434 . . . . 1.0 104.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 30' ' ' LEU . 7.8 tt -62.67 -30.26 71.25 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.096 -1.816 . . . . 1.0 106.096 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.18 -39.56 75.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.825 -1.15 . . . . 1.0 107.938 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' ASN . 1.3 t -71.52 -30.13 65.57 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 115.943 -2.303 . . . . 1.0 106.238 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -75.24 -23.94 57.6 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.017 -1.073 . . . . 1.0 110.485 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -30.58 13.76 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 118.966 -1.094 . . . . 1.0 110.983 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -44.05 6.04 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.322 1.014 . . . . 1.0 112.923 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 105.361 -2.089 . . . . 1.0 105.361 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 122.474 1.131 . . . . 1.0 112.628 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.29 -40.65 62.13 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 103.736 -2.69 . . . . 1.0 103.736 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -47.38 -25.52 1.05 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.408 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 59.8 t80 -116.09 -22.45 8.95 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -87.62 -38.94 15.48 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 124.125 1.917 . . . . 1.0 105.904 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 18.8 t-20 -74.43 -40.3 62.06 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 111.324 -2.671 . . . . 1.0 107.722 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 30' ' ' LEU . 8.5 tt -73.18 -20.18 60.95 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.747 -1.205 . . . . 1.0 107.747 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -80.13 -46.84 15.72 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 118.953 -1.099 . . . . 1.0 109.082 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -64.37 -29.57 70.63 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 115.95 -2.3 . . . . 1.0 107.634 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -73.1 -22.21 60.61 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.117 -0.947 . . . . 1.0 112.868 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.5 -22.63 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 123.888 0.742 . . . . 1.0 111.769 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.29 -43.56 6.23 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 115.233 -0.894 . . . . 1.0 112.497 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 104.752 -2.314 . . . . 1.0 104.752 179.564 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 122.294 1.045 . . . . 1.0 112.16 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 8.3 mmm180 -63.06 -45.07 93.95 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 102.723 -3.066 . . . . 1.0 102.723 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -44.94 -23.44 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 113.053 -1.885 . . . . 1.0 112.647 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 16.1 t80 -121.82 -28.77 4.43 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.29 1.959 . . . . 1.0 116.29 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -91.04 -37.39 13.47 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.567 ' HA ' HG22 ' A' ' 32' ' ' THR . 1.3 t30 -82.07 -40.66 21.66 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.173 -1.831 . . . . 1.0 108.177 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.75 -26.02 65.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 105.833 -1.914 . . . . 1.0 105.833 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -84.85 -43.83 13.79 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 113.76 -1.564 . . . . 1.0 112.081 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.567 HG22 ' HA ' ' A' ' 29' ' ' ASN . 6.1 t -70.28 -28.77 65.47 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 116.33 -2.148 . . . . 1.0 107.976 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -8.17 59.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 119.656 -0.818 . . . . 1.0 111.843 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -25.72 8.15 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.751 -0.833 . . . . 1.0 108.751 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -44.68 5.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.186 -0.912 . . . . 1.0 112.424 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 105.914 -1.884 . . . . 1.0 105.914 179.766 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 123.114 1.435 . . . . 1.0 112.918 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 7.7 mmm180 -75.68 -48.65 21.11 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 102.673 -3.084 . . . . 1.0 102.673 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -42.68 -30.25 0.36 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.067 -1.053 . . . . 1.0 113.106 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.415 ' O ' HD23 ' A' ' 31' ' ' LEU . 70.0 t80 -109.99 -30.88 7.59 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 116.504 2.038 . . . . 1.0 116.504 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 123.91 1.814 . . . . 1.0 108.152 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -77.77 -25.63 49.22 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 111.512 -2.585 . . . . 1.0 109.683 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.55 -24.73 25.36 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.324 -2.473 . . . . 1.0 104.324 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -65.56 -38.88 90.86 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.052 -1.092 . . . . 1.0 108.052 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 29' ' ' ASN . 4.8 t -74.08 -31.21 62.73 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 117.367 -1.733 . . . . 1.0 107.202 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -21.92 57.95 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.504 -0.878 . . . . 1.0 110.434 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -30.44 11.66 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.841 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -39.81 7.76 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.896 1.073 . . . . 1.0 113.896 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 179.654 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 tp . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 123.067 1.413 . . . . 1.0 112.275 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.6 mmm180 -67.32 -43.61 81.2 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 102.346 -3.205 . . . . 1.0 102.346 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -47.13 -19.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 114.456 -1.247 . . . . 1.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -119.44 -34.69 3.75 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.917 1.451 . . . . 1.0 114.917 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -90.49 -33.23 16.04 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 123.299 1.523 . . . . 1.0 107.668 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.3 t30 -81.63 -37.55 27.38 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 113.285 -1.779 . . . . 1.0 109.262 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 30' ' ' LEU . 7.8 tt -72.74 -22.3 60.89 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.609 -1.256 . . . . 1.0 107.609 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -37.86 20.21 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.249 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 t -62.14 -30.77 71.27 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 116.141 -2.223 . . . . 1.0 107.677 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -68.16 -35.24 77.75 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.228 1.196 . . . . 1.0 114.228 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.27 18.43 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.449 -1.251 . . . . 1.0 111.676 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -49.97 4.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.432 -1.258 . . . . 1.0 114.281 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.306 -1.292 0 N-CA-C 103.022 -2.955 . . . . 1.0 103.022 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 28' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 123.867 1.794 . . . . 1.0 112.522 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.21 -39.08 86.23 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 103.135 -2.913 . . . . 1.0 103.135 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -47.32 -28.25 1.93 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.279 -0.968 . . . . 1.0 111.57 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -110.37 -24.25 10.73 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.938 1.458 . . . . 1.0 114.938 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' HD13 ' A' ' 24' ' ' LEU . 5.4 tp -90.65 -37.59 13.67 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.218 -1.771 . . . . 1.0 106.218 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.711 ' O ' HG22 ' A' ' 32' ' ' THR . 22.1 t-20 -73.02 -40.43 65.18 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 112.724 -2.034 . . . . 1.0 106.505 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 8.1 tt -66.62 -28.12 68.24 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.389 -1.708 . . . . 1.0 106.389 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -32.87 74.51 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.161 -0.927 . . . . 1.0 109.663 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 29' ' ' ASN . 4.0 t -75.45 -18.78 59.78 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.815 -1.954 . . . . 1.0 106.886 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -78.49 -28.06 46.32 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.723 -1.591 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 4.0 mm100 -101.64 -32.23 10.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 120.161 -0.616 . . . . 1.0 112.028 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -42.04 11.15 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.897 -1.121 . . . . 1.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' THR . 2.5 m-85 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 105.8 -1.926 . . . . 1.0 105.8 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 123.193 1.473 . . . . 1.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -68.03 -41.95 81.33 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 101.149 -3.649 . . . . 1.0 101.149 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -49.02 -18.65 0.32 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.937 -0.705 . . . . 1.0 110.773 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.486 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 76.8 t80 -115.27 -25.81 7.87 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.89 -40.46 11.16 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 125.292 2.472 . . . . 1.0 108.208 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 19.3 t-20 -75.55 -31.25 60.0 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 109.701 -3.408 . . . . 1.0 110.181 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 30' ' ' LEU . 6.2 tt -85.08 -19.17 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.893 -2.262 . . . . 1.0 104.893 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.09 -49.31 29.22 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 106.292 -1.744 . . . . 1.0 106.292 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 5.5 t -64.87 -23.73 67.32 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 117.707 -1.597 . . . . 1.0 108.548 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -33.36 32.09 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.124 -1.031 . . . . 1.0 111.715 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.35 21.09 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.671 -0.811 . . . . 1.0 110.569 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.3 -48.56 4.77 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 32' ' ' THR . 12.1 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 101.142 -3.651 . . . . 1.0 101.142 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 122.854 1.311 . . . . 1.0 113.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -30.34 70.43 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -59.74 -17.62 36.43 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.043 -1.463 . . . . 1.0 110.739 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -120.24 -17.32 8.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -39.89 12.35 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 1.0 105.692 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -86.74 -41.95 13.73 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.446 -2.161 . . . . 1.0 110.635 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.29 -23.1 65.45 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 118.981 -1.088 . . . . 1.0 108.14 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -86.14 -50.53 6.94 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-O 116.28 -1.819 . . . . 1.0 109.952 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.3 t -58.7 -34.23 71.07 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 115.62 -2.432 . . . . 1.0 108.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.352 -1.749 . . . . 1.0 112.127 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -7.51 13.25 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.928 1.084 . . . . 1.0 113.928 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.65 -50.47 3.87 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 114.586 -1.188 . . . . 1.0 108.696 179.527 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 104.637 -2.357 . . . . 1.0 104.637 179.559 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.887 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -8.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.078 1.418 . . . . 1.0 112.453 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.51 -41.6 84.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 101.772 -3.418 . . . . 1.0 101.772 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -44.85 -23.34 0.13 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.706 -1.133 . . . . 1.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 17.1 t80 -118.15 -25.85 6.53 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 114.279 1.214 . . . . 1.0 114.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.52 -37.61 13.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 124.203 1.954 . . . . 1.0 107.589 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.4 t30 -78.87 -41.22 30.43 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 111.019 -2.81 . . . . 1.0 107.073 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.43 -28.71 70.16 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 104.718 -2.327 . . . . 1.0 104.718 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.32 -29.38 66.09 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.534 -1.212 . . . . 1.0 109.422 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -38.4 26.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 104.901 -2.259 . . . . 1.0 104.901 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -64.15 -24.57 67.73 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.65 10.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.643 0.979 . . . . 1.0 113.643 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -100.93 -34.86 9.61 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -91.92 53.43 2.19 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 105.522 -2.029 . . . . 1.0 105.522 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.68 0 O-C-N 120.85 -1.156 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.877 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -57.8 -13.3 4.01 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.852 1.31 . . . . 1.0 112.459 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 103.244 -2.873 . . . . 1.0 103.244 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -55.62 -11.75 1.01 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.955 -1.02 . . . . 1.0 111.213 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 87.4 t80 -126.64 -25.55 3.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.689 0.996 . . . . 1.0 113.689 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -90.78 -38.16 13.18 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.538 -2.023 . . . . 1.0 105.538 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 6.2 t30 -90.69 -45.31 8.94 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 112.576 -2.102 . . . . 1.0 111.983 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 30' ' ' LEU . 8.3 tt -54.3 -31.01 53.0 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 123.647 1.689 . . . . 1.0 107.909 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 2.4 tm? -73.18 -39.57 65.49 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 111.359 -2.655 . . . . 1.0 109.086 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -27.59 60.7 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.938 -1.905 . . . . 1.0 107.42 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 29' ' ' ASN . 11.8 mmt85 -81.05 -28.54 35.3 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.228 -1.389 . . . . 1.0 109.191 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.26 -23.68 21.14 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 118.16 -1.416 . . . . 1.0 108.071 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -100.75 -52.83 3.22 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 119.488 -0.885 . . . . 1.0 110.929 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -91.29 57.17 3.3 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 101.709 -3.441 . . . . 1.0 101.709 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.534 0 O-C-N 120.436 -1.415 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.788 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.5 -4.17 10.71 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.948 0.88 . . . . 1.0 112.048 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.59 -28.58 63.91 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 105.378 -2.082 . . . . 1.0 105.378 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -60.06 -17.52 39.96 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.037 -1.468 . . . . 1.0 107.037 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -122.38 -16.41 7.36 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.227 0.454 . . . . 1.0 112.227 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.49 -37.84 13.63 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 105.524 -2.028 . . . . 1.0 105.524 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.98 -41.13 12.55 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 112.611 -2.086 . . . . 1.0 111.566 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.33 -24.96 68.09 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 118.335 -1.346 . . . . 1.0 107.871 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.12 -41.59 11.56 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.467 -1.697 . . . . 1.0 110.505 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -25.94 60.85 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 115.288 -2.565 . . . . 1.0 108.836 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -10.63 59.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.724 -1.59 . . . . 1.0 110.894 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.48 -21.49 10.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.0 108.57 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -98.37 -48.98 4.84 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 115.37 -0.832 . . . . 1.0 109.395 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -91.0 50.89 1.85 Allowed 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 102.967 -2.975 . . . . 1.0 102.967 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 O-C-N 120.558 -1.339 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.878 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -53.24 -20.71 4.4 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 123.275 1.512 . . . . 1.0 112.928 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.72 -41.18 83.9 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.697 -2.705 . . . . 1.0 103.697 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -46.0 -27.08 0.84 Allowed 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.472 -0.891 . . . . 1.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -114.11 -22.74 9.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 113.95 1.092 . . . . 1.0 113.95 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -91.74 -38.52 12.35 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 124.485 2.088 . . . . 1.0 108.157 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 2.4 t30 -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 110.861 -2.881 . . . . 1.0 110.678 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 30' ' ' LEU . 10.5 tt -90.06 -16.68 29.21 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.45 -2.056 . . . . 1.0 105.45 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -88.83 -47.0 8.51 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 118.44 -0.79 . . . . 1.0 111.16 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -60.25 -25.68 65.86 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 115.691 -2.404 . . . . 1.0 108.615 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.83 -15.86 55.24 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 114.633 -1.167 . . . . 1.0 113.034 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.62 -24.44 11.75 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.593 0.711 . . . . 1.0 109.125 179.525 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -100.51 -45.61 5.48 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.152 -1.385 . . . . 1.0 114.202 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -86.24 48.23 1.59 Allowed 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 123.462 1.601 . . . . 1.0 107.202 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.569 0 O-C-N 120.288 -1.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ACE . . . . . 0.41 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.213 -0.83 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.16 -8.61 0.72 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 123.029 1.395 . . . . 1.0 112.242 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.0 mmm-85 -63.11 -40.93 99.06 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 102.338 -3.208 . . . . 1.0 102.338 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -46.7 -20.98 0.15 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.153 -1.385 . . . . 1.0 111.447 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 90.8 t80 -117.63 -30.81 5.37 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.053 1.501 . . . . 1.0 115.053 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 tp -90.96 -36.43 14.11 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 124.594 2.14 . . . . 1.0 107.808 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.0 t30 -78.46 -42.26 30.36 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 111.302 -2.681 . . . . 1.0 107.408 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.14 -28.78 69.89 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.163 -2.162 . . . . 1.0 105.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -68.73 -44.16 74.42 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.143 -1.799 . . . . 1.0 106.143 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -69.63 -26.56 64.48 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 116.469 -2.093 . . . . 1.0 108.408 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.62 -31.94 57.73 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.77 -0.772 . . . . 1.0 111.197 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -98.61 -18.86 17.88 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.888 -0.725 . . . . 1.0 110.8 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.58 -48.54 4.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 118.248 -0.882 . . . . 1.0 109.93 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.73 55.09 3.06 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 103.675 -2.713 . . . . 1.0 103.675 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.216 -1.552 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.786 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 tp -63.77 -9.32 13.88 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 122.602 1.191 . . . . 1.0 112.61 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -69.41 -33.29 72.78 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 104.15 -2.537 . . . . 1.0 104.15 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -64.48 -6.59 7.67 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.116 -1.434 . . . . 1.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 37.0 t80 -123.54 -25.69 4.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 114.173 1.175 . . . . 1.0 114.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.84 -37.13 13.11 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 20.4 t-20 -90.41 -38.54 13.23 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 112.998 -1.91 . . . . 1.0 111.303 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.88 -30.05 70.61 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.066 -1.827 . . . . 1.0 106.066 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.03 -21.74 59.84 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.129 -1.396 . . . . 1.0 110.911 -179.636 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -40.07 15.06 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.229 -2.878 . . . . 1.0 103.229 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -63.2 -18.37 63.43 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.385 -0.969 . . . . 1.0 108.385 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.15 -35.51 6.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.857 0.723 . . . . 1.0 112.888 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -29.76 12.15 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.223 -0.991 . . . . 1.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -99.5 23.44 9.41 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 104.956 -2.239 . . . . 1.0 104.956 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 119.845 -1.784 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -0.983 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -53.06 -14.34 0.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.926 0.869 . . . . 1.0 113.026 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.73 -43.51 79.81 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 102.801 -3.037 . . . . 1.0 102.801 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -42.73 -30.46 0.38 Allowed 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.622 1.201 . . . . 1.0 111.642 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 81.4 t80 -112.32 -25.26 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 115.598 1.703 . . . . 1.0 115.598 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -85.52 -38.31 18.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.155 -2.165 . . . . 1.0 105.155 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -67.82 -42.8 80.94 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.389 -2.078 . . . . 1.0 105.389 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.26 -24.34 64.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.916 -1.493 . . . . 1.0 107.406 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -78.75 -36.44 43.15 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.905 -1.118 . . . . 1.0 111.116 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -77.09 -26.98 54.0 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 116.154 -2.218 . . . . 1.0 106.808 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -9.16 59.88 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.63 -1.628 . . . . 1.0 111.356 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 -28.79 8.48 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.45 -41.86 6.83 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 118.432 -0.794 . . . . 1.0 112.419 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -89.89 50.29 1.86 Allowed 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 105.731 -1.951 . . . . 1.0 105.731 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 O-C-N 120.313 -1.492 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.966 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 tp -53.79 -13.79 0.79 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 123.262 1.506 . . . . 1.0 113.385 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.11 -42.05 94.34 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 102.773 -3.047 . . . . 1.0 102.773 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -43.94 -30.58 0.72 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.789 1.28 . . . . 1.0 112.519 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 61.4 t80 -111.02 -20.87 12.26 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.94 -1.482 . . . . 1.0 114.736 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.33 -37.92 12.95 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 124.332 2.015 . . . . 1.0 107.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -72.05 -40.51 68.32 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 111.244 -2.707 . . . . 1.0 106.643 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.2 -22.16 58.19 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.804 -1.554 . . . . 1.0 106.804 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -71.81 -40.59 69.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 118.592 -1.243 . . . . 1.0 108.938 -179.492 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 t -73.44 -32.71 64.52 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.302 -2.159 . . . . 1.0 106.532 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.76 -27.93 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.125 -1.03 . . . . 1.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -25.59 14.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 124.307 1.004 . . . . 1.0 112.297 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -100.3 -39.62 7.92 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.271 1.582 . . . . 1.0 115.271 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.1 -17.42 43.17 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 105.069 -2.197 . . . . 1.0 105.069 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 119.854 -1.779 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.829 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 28' ' ' LEU . 1.1 tm? -59.22 -13.49 7.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 122.854 1.312 . . . . 1.0 112.637 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -35.04 78.41 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 104.531 -2.396 . . . . 1.0 104.531 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -53.8 -21.74 8.08 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.97 -1.092 . . . . 1.0 111.326 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -118.64 -18.06 9.11 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 114.498 1.296 . . . . 1.0 114.498 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.674 ' HB2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -91.08 -39.74 12.01 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.765 -1.939 . . . . 1.0 105.765 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -77.4 -40.79 42.4 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.108 -1.86 . . . . 1.0 107.63 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.72 -29.3 70.02 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -41.9 73.95 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -71.41 -33.44 69.45 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.572 -2.051 . . . . 1.0 107.865 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -71.97 -21.3 61.61 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.782 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -27.4 12.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 123.903 0.752 . . . . 1.0 111.606 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.79 -42.0 6.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 118.241 -0.885 . . . . 1.0 113.214 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.71 61.62 6.42 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.893 -1.891 . . . . 1.0 105.893 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.594 0 O-C-N 119.939 -1.726 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.912 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.59 -12.89 1.33 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 122.551 1.167 . . . . 1.0 113.169 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.66 -39.71 91.67 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 102.711 -3.07 . . . . 1.0 102.711 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -44.94 -27.4 0.53 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.581 1.181 . . . . 1.0 111.801 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.523 ' CE1' HD23 ' A' ' 31' ' ' LEU . 46.2 t80 -112.09 -31.92 6.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.238 1.57 . . . . 1.0 115.238 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.09 -37.06 29.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.047 -1.834 . . . . 1.0 106.047 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 20.8 t-20 -72.85 -34.16 66.59 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 111.965 -2.38 . . . . 1.0 106.077 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.17 -19.24 43.8 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.426 -1.324 . . . . 1.0 107.426 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.5 -43.39 69.78 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.015 -1.476 . . . . 1.0 107.015 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.4 t -71.3 -26.89 63.05 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 116.161 -2.216 . . . . 1.0 106.849 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 33' ' ' ARG . 1.5 mmt85 -73.68 -30.89 63.16 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.806 -1.158 . . . . 1.0 111.887 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.44 -20.51 16.42 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -100.58 -40.67 7.29 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 118.511 -0.757 . . . . 1.0 112.854 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -92.64 6.71 46.35 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 104.326 -2.472 . . . . 1.0 104.326 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.507 0 O-C-N 119.585 -1.947 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.8 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.58 -10.05 16.5 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.726 1.251 . . . . 1.0 112.571 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.57 -30.62 67.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.256 -2.498 . . . . 1.0 104.256 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 7.4 t60 -67.25 -4.04 9.5 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.356 -1.338 . . . . 1.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 23.3 t80 -125.69 -26.09 3.57 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -36.96 13.36 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.929 -1.878 . . . . 1.0 105.929 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.601 ' O ' HG22 ' A' ' 32' ' ' THR . 1.9 t30 -91.03 -42.27 10.62 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 113.762 -1.563 . . . . 1.0 112.039 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 30' ' ' LEU . 9.8 tt -64.83 -23.4 67.22 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 118.334 -1.346 . . . . 1.0 108.198 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -82.21 -21.65 36.31 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.537 -1.665 . . . . 1.0 110.407 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 29' ' ' ASN . 7.2 t -74.46 -32.96 62.78 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 104.253 -2.499 . . . . 1.0 104.253 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -65.44 -23.43 66.93 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 114.794 -1.094 . . . . 1.0 111.256 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -26.17 11.03 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.997 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -37.96 8.61 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 113.83 1.048 . . . . 1.0 113.83 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.54 -13.56 39.84 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 103.094 -2.928 . . . . 1.0 103.094 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 120.158 -1.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.827 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.54 -10.12 4.66 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.741 1.258 . . . . 1.0 112.814 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.01 -35.55 74.44 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 104.422 -2.436 . . . . 1.0 104.422 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.96 -9.59 7.44 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 117.486 -1.685 . . . . 1.0 111.87 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 12.8 t80 -122.66 -25.83 4.62 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.052 0.76 . . . . 1.0 113.052 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.3 -35.42 14.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.545 -1.65 . . . . 1.0 106.545 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 22.7 t-20 -83.98 -38.68 20.66 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 117.784 -1.567 . . . . 1.0 107.595 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.87 -27.95 69.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 105.073 -2.195 . . . . 1.0 105.073 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.11 -39.65 86.73 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.085 -1.08 . . . . 1.0 108.085 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 29' ' ' ASN . 1.6 t -78.11 -31.71 50.12 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 116.946 -1.902 . . . . 1.0 107.248 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -74.67 -22.09 59.06 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.833 -1.147 . . . . 1.0 108.854 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -23.39 13.31 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.866 -0.734 . . . . 1.0 111.547 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -43.08 6.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 118.378 -0.82 . . . . 1.0 110.825 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.91 58.71 5.22 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 104.595 -2.372 . . . . 1.0 104.595 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.203 -1.561 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.891 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.46 -11.93 1.49 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 122.394 1.092 . . . . 1.0 112.928 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.97 -37.93 82.13 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 103.55 -2.759 . . . . 1.0 103.55 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.27 -24.72 1.93 Allowed 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 122.096 0.951 . . . . 1.0 111.531 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 55.5 t80 -113.78 -29.15 7.18 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.651 1.352 . . . . 1.0 114.651 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.65 -33.97 21.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -74.85 -43.25 55.52 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.429 -2.434 . . . . 1.0 104.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 30' ' ' LEU . 7.8 tt -62.67 -30.26 71.25 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.096 -1.816 . . . . 1.0 106.096 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.18 -39.56 75.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.825 -1.15 . . . . 1.0 107.938 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' ASN . 1.3 t -71.52 -30.13 65.57 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 115.943 -2.303 . . . . 1.0 106.238 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -75.24 -23.94 57.6 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.017 -1.073 . . . . 1.0 110.485 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -30.58 13.76 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 118.966 -1.094 . . . . 1.0 110.983 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -44.05 6.04 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.322 1.014 . . . . 1.0 112.923 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -86.7 50.67 2.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.361 -2.089 . . . . 1.0 105.361 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 O-C-N 119.75 -1.844 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.843 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.29 -19.76 5.93 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 122.474 1.131 . . . . 1.0 112.628 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.29 -40.65 62.13 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 103.736 -2.69 . . . . 1.0 103.736 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -47.38 -25.52 1.05 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.408 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 59.8 t80 -116.09 -22.45 8.95 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -87.62 -38.94 15.48 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 124.125 1.917 . . . . 1.0 105.904 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 18.8 t-20 -74.43 -40.3 62.06 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 111.324 -2.671 . . . . 1.0 107.722 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 30' ' ' LEU . 8.5 tt -73.18 -20.18 60.95 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.747 -1.205 . . . . 1.0 107.747 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -80.13 -46.84 15.72 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 118.953 -1.099 . . . . 1.0 109.082 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -64.37 -29.57 70.63 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 115.95 -2.3 . . . . 1.0 107.634 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -73.1 -22.21 60.61 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.117 -0.947 . . . . 1.0 112.868 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.5 -22.63 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 123.888 0.742 . . . . 1.0 111.769 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.29 -43.56 6.23 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 115.233 -0.894 . . . . 1.0 112.497 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.59 -6.37 59.17 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 104.752 -2.314 . . . . 1.0 104.752 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.544 0 O-C-N 119.985 -1.697 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ACE . . . . . 0.413 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.809 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.74 -9.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.294 1.045 . . . . 1.0 112.16 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 8.3 mmm180 -63.06 -45.07 93.95 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 102.723 -3.066 . . . . 1.0 102.723 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -44.94 -23.44 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 113.053 -1.885 . . . . 1.0 112.647 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 16.1 t80 -121.82 -28.77 4.43 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.29 1.959 . . . . 1.0 116.29 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -91.04 -37.39 13.47 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.567 ' HA ' HG22 ' A' ' 32' ' ' THR . 1.3 t30 -82.07 -40.66 21.66 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.173 -1.831 . . . . 1.0 108.177 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.75 -26.02 65.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 105.833 -1.914 . . . . 1.0 105.833 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -84.85 -43.83 13.79 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 113.76 -1.564 . . . . 1.0 112.081 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.567 HG22 ' HA ' ' A' ' 29' ' ' ASN . 6.1 t -70.28 -28.77 65.47 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 116.33 -2.148 . . . . 1.0 107.976 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -8.17 59.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 119.656 -0.818 . . . . 1.0 111.843 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -25.72 8.15 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.751 -0.833 . . . . 1.0 108.751 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -44.68 5.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.186 -0.912 . . . . 1.0 112.424 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.43 57.98 3.91 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 105.914 -1.884 . . . . 1.0 105.914 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.633 0 O-C-N 119.197 -2.189 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.768 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.19 -11.36 1.64 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 123.114 1.435 . . . . 1.0 112.918 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 7.7 mmm180 -75.68 -48.65 21.11 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 102.673 -3.084 . . . . 1.0 102.673 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -42.68 -30.25 0.36 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.067 -1.053 . . . . 1.0 113.106 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.415 ' O ' HD23 ' A' ' 31' ' ' LEU . 70.0 t80 -109.99 -30.88 7.59 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 116.504 2.038 . . . . 1.0 116.504 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 123.91 1.814 . . . . 1.0 108.152 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -77.77 -25.63 49.22 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 111.512 -2.585 . . . . 1.0 109.683 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.55 -24.73 25.36 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.324 -2.473 . . . . 1.0 104.324 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -65.56 -38.88 90.86 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.052 -1.092 . . . . 1.0 108.052 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 29' ' ' ASN . 4.8 t -74.08 -31.21 62.73 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 117.367 -1.733 . . . . 1.0 107.202 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -21.92 57.95 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.504 -0.878 . . . . 1.0 110.434 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -30.44 11.66 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.841 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -39.81 7.76 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.896 1.073 . . . . 1.0 113.896 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.08 -1.47 57.41 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.556 0 O-C-N 119.445 -2.034 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ACE . . . . . 0.4 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.32 -7.51 1.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 123.067 1.413 . . . . 1.0 112.275 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.6 mmm180 -67.32 -43.61 81.2 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 102.346 -3.205 . . . . 1.0 102.346 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -47.13 -19.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 114.456 -1.247 . . . . 1.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -119.44 -34.69 3.75 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.917 1.451 . . . . 1.0 114.917 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -90.49 -33.23 16.04 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 123.299 1.523 . . . . 1.0 107.668 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.3 t30 -81.63 -37.55 27.38 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 113.285 -1.779 . . . . 1.0 109.262 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 30' ' ' LEU . 7.8 tt -72.74 -22.3 60.89 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.609 -1.256 . . . . 1.0 107.609 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -37.86 20.21 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.249 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 t -62.14 -30.77 71.27 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 116.141 -2.223 . . . . 1.0 107.677 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -68.16 -35.24 77.75 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.228 1.196 . . . . 1.0 114.228 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.27 18.43 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.449 -1.251 . . . . 1.0 111.676 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -49.97 4.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.432 -1.258 . . . . 1.0 114.281 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -81.84 -20.96 37.9 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 103.022 -2.955 . . . . 1.0 103.022 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 120.368 -1.458 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.93 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 28' ' ' LEU . 1.6 tm? -56.42 -13.08 1.99 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 123.867 1.794 . . . . 1.0 112.522 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.21 -39.08 86.23 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 103.135 -2.913 . . . . 1.0 103.135 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -47.32 -28.25 1.93 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.279 -0.968 . . . . 1.0 111.57 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -110.37 -24.25 10.73 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.938 1.458 . . . . 1.0 114.938 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' HD13 ' A' ' 24' ' ' LEU . 5.4 tp -90.65 -37.59 13.67 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.218 -1.771 . . . . 1.0 106.218 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.711 ' O ' HG22 ' A' ' 32' ' ' THR . 22.1 t-20 -73.02 -40.43 65.18 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 112.724 -2.034 . . . . 1.0 106.505 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 8.1 tt -66.62 -28.12 68.24 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.389 -1.708 . . . . 1.0 106.389 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -32.87 74.51 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.161 -0.927 . . . . 1.0 109.663 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 29' ' ' ASN . 4.0 t -75.45 -18.78 59.78 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.815 -1.954 . . . . 1.0 106.886 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -78.49 -28.06 46.32 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.723 -1.591 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 4.0 mm100 -101.64 -32.23 10.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 120.161 -0.616 . . . . 1.0 112.028 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -42.04 11.15 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.897 -1.121 . . . . 1.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' THR . 2.5 m-85 -84.35 -1.76 55.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 105.8 -1.926 . . . . 1.0 105.8 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.519 0 O-C-N 119.408 -2.058 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.885 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.75 -11.27 2.99 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 123.193 1.473 . . . . 1.0 112.526 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -68.03 -41.95 81.33 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 101.149 -3.649 . . . . 1.0 101.149 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -49.02 -18.65 0.32 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.937 -0.705 . . . . 1.0 110.773 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.486 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 76.8 t80 -115.27 -25.81 7.87 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.89 -40.46 11.16 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 125.292 2.472 . . . . 1.0 108.208 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 19.3 t-20 -75.55 -31.25 60.0 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 109.701 -3.408 . . . . 1.0 110.181 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 30' ' ' LEU . 6.2 tt -85.08 -19.17 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.893 -2.262 . . . . 1.0 104.893 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.09 -49.31 29.22 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 106.292 -1.744 . . . . 1.0 106.292 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 5.5 t -64.87 -23.73 67.32 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 117.707 -1.597 . . . . 1.0 108.548 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -33.36 32.09 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.124 -1.031 . . . . 1.0 111.715 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.35 21.09 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.671 -0.811 . . . . 1.0 110.569 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.3 -48.56 4.77 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 32' ' ' THR . 12.1 m-85 -95.29 51.41 1.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 101.142 -3.651 . . . . 1.0 101.142 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.573 0 O-C-N 121.026 -1.047 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.801 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.8 -10.68 13.89 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.854 1.311 . . . . 1.0 113.217 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -30.34 70.43 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -59.74 -17.62 36.43 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.043 -1.463 . . . . 1.0 110.739 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -120.24 -17.32 8.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -39.89 12.35 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 1.0 105.692 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -86.74 -41.95 13.73 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.446 -2.161 . . . . 1.0 110.635 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.29 -23.1 65.45 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 118.981 -1.088 . . . . 1.0 108.14 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -86.14 -50.53 6.94 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-O 116.28 -1.819 . . . . 1.0 109.952 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.3 t -58.7 -34.23 71.07 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 115.62 -2.432 . . . . 1.0 108.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.352 -1.749 . . . . 1.0 112.127 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -7.51 13.25 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.928 1.084 . . . . 1.0 113.928 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.65 -50.47 3.87 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 114.586 -1.188 . . . . 1.0 108.696 179.527 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.01 -11.57 59.77 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 104.637 -2.357 . . . . 1.0 104.637 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 119.558 -1.964 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 123.078 1.418 . . . . 1.0 112.453 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.51 -41.6 84.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 101.772 -3.418 . . . . 1.0 101.772 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -44.85 -23.34 0.13 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.706 -1.133 . . . . 1.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 17.1 t80 -118.15 -25.85 6.53 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 114.279 1.214 . . . . 1.0 114.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.52 -37.61 13.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 124.203 1.954 . . . . 1.0 107.589 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.4 t30 -78.87 -41.22 30.43 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 111.019 -2.81 . . . . 1.0 107.073 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.43 -28.71 70.16 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 104.718 -2.327 . . . . 1.0 104.718 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.32 -29.38 66.09 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.534 -1.212 . . . . 1.0 109.422 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -38.4 26.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 104.901 -2.259 . . . . 1.0 104.901 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -64.15 -24.57 67.73 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.65 10.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.643 0.979 . . . . 1.0 113.643 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -100.93 -34.86 9.61 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 105.522 -2.029 . . . . 1.0 105.522 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 122.852 1.31 . . . . 1.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 103.244 -2.873 . . . . 1.0 103.244 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -55.62 -11.75 1.01 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.955 -1.02 . . . . 1.0 111.213 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 87.4 t80 -126.64 -25.55 3.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.689 0.996 . . . . 1.0 113.689 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -90.78 -38.16 13.18 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.538 -2.023 . . . . 1.0 105.538 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 6.2 t30 -90.69 -45.31 8.94 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 112.576 -2.102 . . . . 1.0 111.983 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 30' ' ' LEU . 8.3 tt -54.3 -31.01 53.0 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 123.647 1.689 . . . . 1.0 107.909 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 2.4 tm? -73.18 -39.57 65.49 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 111.359 -2.655 . . . . 1.0 109.086 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -27.59 60.7 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.938 -1.905 . . . . 1.0 107.42 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 29' ' ' ASN . 11.8 mmt85 -81.05 -28.54 35.3 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.228 -1.389 . . . . 1.0 109.191 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -23.68 21.14 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 118.16 -1.416 . . . . 1.0 108.071 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -100.75 -52.83 3.22 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 119.488 -0.885 . . . . 1.0 110.929 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.304 -1.399 0 N-CA-C 101.709 -3.441 . . . . 1.0 101.709 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.948 0.88 . . . . 1.0 112.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.59 -28.58 63.91 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 105.378 -2.082 . . . . 1.0 105.378 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -60.06 -17.52 39.96 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.037 -1.468 . . . . 1.0 107.037 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -122.38 -16.41 7.36 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.227 0.454 . . . . 1.0 112.227 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.49 -37.84 13.63 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 105.524 -2.028 . . . . 1.0 105.524 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.98 -41.13 12.55 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 112.611 -2.086 . . . . 1.0 111.566 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.33 -24.96 68.09 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 118.335 -1.346 . . . . 1.0 107.871 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.12 -41.59 11.56 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.467 -1.697 . . . . 1.0 110.505 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -25.94 60.85 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 115.288 -2.565 . . . . 1.0 108.836 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -10.63 59.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.724 -1.59 . . . . 1.0 110.894 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.48 -21.49 10.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.0 108.57 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -98.37 -48.98 4.84 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 115.37 -0.832 . . . . 1.0 109.395 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.308 -1.202 0 N-CA-C 102.967 -2.975 . . . . 1.0 102.967 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 123.275 1.512 . . . . 1.0 112.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.72 -41.18 83.9 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.697 -2.705 . . . . 1.0 103.697 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -46.0 -27.08 0.84 Allowed 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.472 -0.891 . . . . 1.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -114.11 -22.74 9.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 113.95 1.092 . . . . 1.0 113.95 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -91.74 -38.52 12.35 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 124.485 2.088 . . . . 1.0 108.157 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 2.4 t30 -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 110.861 -2.881 . . . . 1.0 110.678 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 30' ' ' LEU . 10.5 tt -90.06 -16.68 29.21 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.45 -2.056 . . . . 1.0 105.45 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -88.83 -47.0 8.51 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 118.44 -0.79 . . . . 1.0 111.16 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -60.25 -25.68 65.86 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 115.691 -2.404 . . . . 1.0 108.615 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.83 -15.86 55.24 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 114.633 -1.167 . . . . 1.0 113.034 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.62 -24.44 11.75 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.593 0.711 . . . . 1.0 109.125 179.525 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -100.51 -45.61 5.48 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.152 -1.385 . . . . 1.0 114.202 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 123.462 1.601 . . . . 1.0 107.202 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 123.029 1.395 . . . . 1.0 112.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.0 mmm-85 -63.11 -40.93 99.06 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 102.338 -3.208 . . . . 1.0 102.338 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -46.7 -20.98 0.15 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.153 -1.385 . . . . 1.0 111.447 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 90.8 t80 -117.63 -30.81 5.37 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.053 1.501 . . . . 1.0 115.053 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 tp -90.96 -36.43 14.11 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 124.594 2.14 . . . . 1.0 107.808 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.0 t30 -78.46 -42.26 30.36 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 111.302 -2.681 . . . . 1.0 107.408 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.14 -28.78 69.89 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.163 -2.162 . . . . 1.0 105.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -68.73 -44.16 74.42 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.143 -1.799 . . . . 1.0 106.143 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -69.63 -26.56 64.48 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 116.469 -2.093 . . . . 1.0 108.408 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.62 -31.94 57.73 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.77 -0.772 . . . . 1.0 111.197 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 -18.86 17.88 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.888 -0.725 . . . . 1.0 110.8 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.58 -48.54 4.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 118.248 -0.882 . . . . 1.0 109.93 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 103.675 -2.713 . . . . 1.0 103.675 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 122.602 1.191 . . . . 1.0 112.61 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -69.41 -33.29 72.78 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 104.15 -2.537 . . . . 1.0 104.15 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -64.48 -6.59 7.67 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.116 -1.434 . . . . 1.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 37.0 t80 -123.54 -25.69 4.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 114.173 1.175 . . . . 1.0 114.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.84 -37.13 13.11 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -90.41 -38.54 13.23 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 112.998 -1.91 . . . . 1.0 111.303 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.88 -30.05 70.61 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.066 -1.827 . . . . 1.0 106.066 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.03 -21.74 59.84 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.129 -1.396 . . . . 1.0 110.911 -179.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -40.07 15.06 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.229 -2.878 . . . . 1.0 103.229 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -63.2 -18.37 63.43 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.385 -0.969 . . . . 1.0 108.385 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.15 -35.51 6.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.857 0.723 . . . . 1.0 112.888 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -29.76 12.15 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.223 -0.991 . . . . 1.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 104.956 -2.239 . . . . 1.0 104.956 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.926 0.869 . . . . 1.0 113.026 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.73 -43.51 79.81 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 102.801 -3.037 . . . . 1.0 102.801 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -42.73 -30.46 0.38 Allowed 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.622 1.201 . . . . 1.0 111.642 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 81.4 t80 -112.32 -25.26 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 115.598 1.703 . . . . 1.0 115.598 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -85.52 -38.31 18.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.155 -2.165 . . . . 1.0 105.155 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -67.82 -42.8 80.94 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.389 -2.078 . . . . 1.0 105.389 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.26 -24.34 64.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.916 -1.493 . . . . 1.0 107.406 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -78.75 -36.44 43.15 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.905 -1.118 . . . . 1.0 111.116 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -77.09 -26.98 54.0 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 116.154 -2.218 . . . . 1.0 106.808 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -9.16 59.88 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.63 -1.628 . . . . 1.0 111.356 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 -28.79 8.48 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.45 -41.86 6.83 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 118.432 -0.794 . . . . 1.0 112.419 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 105.731 -1.951 . . . . 1.0 105.731 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 tp . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 123.262 1.506 . . . . 1.0 113.385 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.11 -42.05 94.34 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 102.773 -3.047 . . . . 1.0 102.773 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -43.94 -30.58 0.72 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.789 1.28 . . . . 1.0 112.519 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 61.4 t80 -111.02 -20.87 12.26 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.94 -1.482 . . . . 1.0 114.736 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.33 -37.92 12.95 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 124.332 2.015 . . . . 1.0 107.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -72.05 -40.51 68.32 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 111.244 -2.707 . . . . 1.0 106.643 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.2 -22.16 58.19 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.804 -1.554 . . . . 1.0 106.804 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -71.81 -40.59 69.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 118.592 -1.243 . . . . 1.0 108.938 -179.492 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 t -73.44 -32.71 64.52 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.302 -2.159 . . . . 1.0 106.532 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.76 -27.93 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.125 -1.03 . . . . 1.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -25.59 14.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 124.307 1.004 . . . . 1.0 112.297 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -100.3 -39.62 7.92 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.271 1.582 . . . . 1.0 115.271 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 105.069 -2.197 . . . . 1.0 105.069 179.548 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 28' ' ' LEU . 1.1 tm? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 122.854 1.312 . . . . 1.0 112.637 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -35.04 78.41 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 104.531 -2.396 . . . . 1.0 104.531 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -53.8 -21.74 8.08 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.97 -1.092 . . . . 1.0 111.326 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -118.64 -18.06 9.11 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 114.498 1.296 . . . . 1.0 114.498 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.674 ' HB2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -91.08 -39.74 12.01 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.765 -1.939 . . . . 1.0 105.765 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -77.4 -40.79 42.4 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.108 -1.86 . . . . 1.0 107.63 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.72 -29.3 70.02 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -41.9 73.95 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -71.41 -33.44 69.45 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.572 -2.051 . . . . 1.0 107.865 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -71.97 -21.3 61.61 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.782 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -27.4 12.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 123.903 0.752 . . . . 1.0 111.606 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.79 -42.0 6.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 118.241 -0.885 . . . . 1.0 113.214 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 105.893 -1.891 . . . . 1.0 105.893 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 122.551 1.167 . . . . 1.0 113.169 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.66 -39.71 91.67 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 102.711 -3.07 . . . . 1.0 102.711 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -44.94 -27.4 0.53 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.581 1.181 . . . . 1.0 111.801 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.523 ' CE1' HD23 ' A' ' 31' ' ' LEU . 46.2 t80 -112.09 -31.92 6.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.238 1.57 . . . . 1.0 115.238 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.09 -37.06 29.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.047 -1.834 . . . . 1.0 106.047 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -72.85 -34.16 66.59 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 111.965 -2.38 . . . . 1.0 106.077 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.17 -19.24 43.8 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.426 -1.324 . . . . 1.0 107.426 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.5 -43.39 69.78 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.015 -1.476 . . . . 1.0 107.015 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.4 t -71.3 -26.89 63.05 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 116.161 -2.216 . . . . 1.0 106.849 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 33' ' ' ARG . 1.5 mmt85 -73.68 -30.89 63.16 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.806 -1.158 . . . . 1.0 111.887 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -20.51 16.42 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -100.58 -40.67 7.29 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 118.511 -0.757 . . . . 1.0 112.854 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.309 -1.165 0 N-CA-C 104.326 -2.472 . . . . 1.0 104.326 179.62 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 122.726 1.251 . . . . 1.0 112.571 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.57 -30.62 67.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.256 -2.498 . . . . 1.0 104.256 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 7.0 t-80 -67.25 -4.04 9.5 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.356 -1.338 . . . . 1.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 23.3 t80 -125.69 -26.09 3.57 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -36.96 13.36 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.929 -1.878 . . . . 1.0 105.929 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.601 ' O ' HG22 ' A' ' 32' ' ' THR . 1.9 t30 -91.03 -42.27 10.62 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 113.762 -1.563 . . . . 1.0 112.039 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 30' ' ' LEU . 9.8 tt -64.83 -23.4 67.22 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 118.334 -1.346 . . . . 1.0 108.198 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -82.21 -21.65 36.31 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.537 -1.665 . . . . 1.0 110.407 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 29' ' ' ASN . 7.2 t -74.46 -32.96 62.78 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 104.253 -2.499 . . . . 1.0 104.253 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -65.44 -23.43 66.93 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 114.794 -1.094 . . . . 1.0 111.256 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -26.17 11.03 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.997 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -37.96 8.61 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 113.83 1.048 . . . . 1.0 113.83 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 103.094 -2.928 . . . . 1.0 103.094 179.634 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 122.741 1.258 . . . . 1.0 112.814 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.01 -35.55 74.44 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 104.422 -2.436 . . . . 1.0 104.422 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.96 -9.59 7.44 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 117.486 -1.685 . . . . 1.0 111.87 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 12.8 t80 -122.66 -25.83 4.62 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.052 0.76 . . . . 1.0 113.052 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.3 -35.42 14.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.545 -1.65 . . . . 1.0 106.545 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 3.0 t30 -83.98 -38.68 20.66 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 117.784 -1.567 . . . . 1.0 107.595 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.87 -27.95 69.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 105.073 -2.195 . . . . 1.0 105.073 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.11 -39.65 86.73 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.085 -1.08 . . . . 1.0 108.085 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 29' ' ' ASN . 1.6 t -78.11 -31.71 50.12 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 116.946 -1.902 . . . . 1.0 107.248 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -74.67 -22.09 59.06 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.833 -1.147 . . . . 1.0 108.854 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -23.39 13.31 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.866 -0.734 . . . . 1.0 111.547 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -43.08 6.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 118.378 -0.82 . . . . 1.0 110.825 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 104.595 -2.372 . . . . 1.0 104.595 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 122.394 1.092 . . . . 1.0 112.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.97 -37.93 82.13 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 103.55 -2.759 . . . . 1.0 103.55 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.27 -24.72 1.93 Allowed 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 122.096 0.951 . . . . 1.0 111.531 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 55.5 t80 -113.78 -29.15 7.18 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.651 1.352 . . . . 1.0 114.651 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.65 -33.97 21.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -74.85 -43.25 55.52 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.429 -2.434 . . . . 1.0 104.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 30' ' ' LEU . 7.8 tt -62.67 -30.26 71.25 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.096 -1.816 . . . . 1.0 106.096 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.18 -39.56 75.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.825 -1.15 . . . . 1.0 107.938 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' ASN . 1.3 t -71.52 -30.13 65.57 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 115.943 -2.303 . . . . 1.0 106.238 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -75.24 -23.94 57.6 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.017 -1.073 . . . . 1.0 110.485 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -30.58 13.76 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 118.966 -1.094 . . . . 1.0 110.983 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -44.05 6.04 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.322 1.014 . . . . 1.0 112.923 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 105.361 -2.089 . . . . 1.0 105.361 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 122.474 1.131 . . . . 1.0 112.628 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.29 -40.65 62.13 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 103.736 -2.69 . . . . 1.0 103.736 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -47.38 -25.52 1.05 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.408 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 59.8 t80 -116.09 -22.45 8.95 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -87.62 -38.94 15.48 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 124.125 1.917 . . . . 1.0 105.904 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -74.43 -40.3 62.06 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 111.324 -2.671 . . . . 1.0 107.722 -179.434 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 30' ' ' LEU . 8.5 tt -73.18 -20.18 60.95 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.747 -1.205 . . . . 1.0 107.747 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -80.13 -46.84 15.72 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 118.953 -1.099 . . . . 1.0 109.082 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -64.37 -29.57 70.63 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 115.95 -2.3 . . . . 1.0 107.634 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -73.1 -22.21 60.61 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.117 -0.947 . . . . 1.0 112.868 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -22.63 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 123.888 0.742 . . . . 1.0 111.769 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.29 -43.56 6.23 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 115.233 -0.894 . . . . 1.0 112.497 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 104.752 -2.314 . . . . 1.0 104.752 179.564 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 122.294 1.045 . . . . 1.0 112.16 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 8.3 mmm180 -63.06 -45.07 93.95 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 102.723 -3.066 . . . . 1.0 102.723 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -44.94 -23.44 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 113.053 -1.885 . . . . 1.0 112.647 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 16.1 t80 -121.82 -28.77 4.43 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.29 1.959 . . . . 1.0 116.29 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -91.04 -37.39 13.47 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.567 ' HA ' HG22 ' A' ' 32' ' ' THR . 1.3 t30 -82.07 -40.66 21.66 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.173 -1.831 . . . . 1.0 108.177 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.75 -26.02 65.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 105.833 -1.914 . . . . 1.0 105.833 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -84.85 -43.83 13.79 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 113.76 -1.564 . . . . 1.0 112.081 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.567 HG22 ' HA ' ' A' ' 29' ' ' ASN . 6.1 t -70.28 -28.77 65.47 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 116.33 -2.148 . . . . 1.0 107.976 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -8.17 59.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 119.656 -0.818 . . . . 1.0 111.843 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -25.72 8.15 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.751 -0.833 . . . . 1.0 108.751 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -44.68 5.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.186 -0.912 . . . . 1.0 112.424 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 105.914 -1.884 . . . . 1.0 105.914 179.766 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 123.114 1.435 . . . . 1.0 112.918 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 7.7 mmm180 -75.68 -48.65 21.11 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 102.673 -3.084 . . . . 1.0 102.673 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -42.68 -30.25 0.36 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.067 -1.053 . . . . 1.0 113.106 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.415 ' O ' HD23 ' A' ' 31' ' ' LEU . 70.0 t80 -109.99 -30.88 7.59 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 116.504 2.038 . . . . 1.0 116.504 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 123.91 1.814 . . . . 1.0 108.152 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -77.77 -25.63 49.22 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 111.512 -2.585 . . . . 1.0 109.683 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.55 -24.73 25.36 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.324 -2.473 . . . . 1.0 104.324 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -65.56 -38.88 90.86 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.052 -1.092 . . . . 1.0 108.052 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 29' ' ' ASN . 4.8 t -74.08 -31.21 62.73 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 117.367 -1.733 . . . . 1.0 107.202 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -21.92 57.95 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.504 -0.878 . . . . 1.0 110.434 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -30.44 11.66 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.841 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -39.81 7.76 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.896 1.073 . . . . 1.0 113.896 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 179.654 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 tp . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 123.067 1.413 . . . . 1.0 112.275 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.6 mmm180 -67.32 -43.61 81.2 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 102.346 -3.205 . . . . 1.0 102.346 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -47.13 -19.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 114.456 -1.247 . . . . 1.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -119.44 -34.69 3.75 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.917 1.451 . . . . 1.0 114.917 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -90.49 -33.23 16.04 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 123.299 1.523 . . . . 1.0 107.668 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.3 t30 -81.63 -37.55 27.38 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 113.285 -1.779 . . . . 1.0 109.262 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 30' ' ' LEU . 7.8 tt -72.74 -22.3 60.89 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.609 -1.256 . . . . 1.0 107.609 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -37.86 20.21 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.249 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 t -62.14 -30.77 71.27 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 116.141 -2.223 . . . . 1.0 107.677 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -68.16 -35.24 77.75 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.228 1.196 . . . . 1.0 114.228 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.27 18.43 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.449 -1.251 . . . . 1.0 111.676 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -49.97 4.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.432 -1.258 . . . . 1.0 114.281 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.306 -1.292 0 N-CA-C 103.022 -2.955 . . . . 1.0 103.022 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 28' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 123.867 1.794 . . . . 1.0 112.522 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.21 -39.08 86.23 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 103.135 -2.913 . . . . 1.0 103.135 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -47.32 -28.25 1.93 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.279 -0.968 . . . . 1.0 111.57 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -110.37 -24.25 10.73 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.938 1.458 . . . . 1.0 114.938 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' HD13 ' A' ' 24' ' ' LEU . 5.4 tp -90.65 -37.59 13.67 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.218 -1.771 . . . . 1.0 106.218 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.711 ' O ' HG22 ' A' ' 32' ' ' THR . 0.5 OUTLIER -73.02 -40.43 65.18 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 112.724 -2.034 . . . . 1.0 106.505 -179.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 8.1 tt -66.62 -28.12 68.24 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.389 -1.708 . . . . 1.0 106.389 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -32.87 74.51 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.161 -0.927 . . . . 1.0 109.663 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 29' ' ' ASN . 4.0 t -75.45 -18.78 59.78 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.815 -1.954 . . . . 1.0 106.886 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -78.49 -28.06 46.32 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.723 -1.591 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 4.0 mm100 -101.64 -32.23 10.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 120.161 -0.616 . . . . 1.0 112.028 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -42.04 11.15 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.897 -1.121 . . . . 1.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' THR . 2.5 m-85 . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 105.8 -1.926 . . . . 1.0 105.8 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 123.193 1.473 . . . . 1.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -68.03 -41.95 81.33 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 101.149 -3.649 . . . . 1.0 101.149 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -49.02 -18.65 0.32 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.937 -0.705 . . . . 1.0 110.773 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.486 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 76.8 t80 -115.27 -25.81 7.87 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.89 -40.46 11.16 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 125.292 2.472 . . . . 1.0 108.208 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -75.55 -31.25 60.0 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 109.701 -3.408 . . . . 1.0 110.181 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 30' ' ' LEU . 6.2 tt -85.08 -19.17 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.893 -2.262 . . . . 1.0 104.893 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.09 -49.31 29.22 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 106.292 -1.744 . . . . 1.0 106.292 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 5.5 t -64.87 -23.73 67.32 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 117.707 -1.597 . . . . 1.0 108.548 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -33.36 32.09 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.124 -1.031 . . . . 1.0 111.715 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.35 21.09 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.671 -0.811 . . . . 1.0 110.569 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.3 -48.56 4.77 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 32' ' ' THR . 12.1 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 101.142 -3.651 . . . . 1.0 101.142 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.497 1.9 0 CA-C-O 122.854 1.311 . . . . 1.0 113.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -30.34 70.43 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -59.74 -17.62 36.43 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.043 -1.463 . . . . 1.0 110.739 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -120.24 -17.32 8.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -39.89 12.35 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 1.0 105.692 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' A' ' 33' ' ' ARG . 4.3 t30 -86.74 -41.95 13.73 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.446 -2.161 . . . . 1.0 110.635 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.29 -23.1 65.45 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 118.981 -1.088 . . . . 1.0 108.14 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -86.14 -50.53 6.94 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-O 116.28 -1.819 . . . . 1.0 109.952 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.3 t -58.7 -34.23 71.07 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 115.62 -2.432 . . . . 1.0 108.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' HG3' ' ND2' ' A' ' 29' ' ' ASN . 1.1 mmm180 -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.352 -1.749 . . . . 1.0 112.127 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -7.51 13.25 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.928 1.084 . . . . 1.0 113.928 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.65 -50.47 3.87 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 114.586 -1.188 . . . . 1.0 108.696 179.527 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 104.637 -2.357 . . . . 1.0 104.637 179.559 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.887 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -8.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.078 1.418 . . . . 1.0 112.453 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.51 -41.6 84.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 101.772 -3.418 . . . . 1.0 101.772 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -44.85 -23.34 0.13 Allowed 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.706 -1.133 . . . . 1.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 17.1 t80 -118.15 -25.85 6.53 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 114.279 1.214 . . . . 1.0 114.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.52 -37.61 13.03 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 124.203 1.954 . . . . 1.0 107.589 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.4 t30 -78.87 -41.22 30.43 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 111.019 -2.81 . . . . 1.0 107.073 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.43 -28.71 70.16 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 104.718 -2.327 . . . . 1.0 104.718 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.32 -29.38 66.09 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.534 -1.212 . . . . 1.0 109.422 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -38.4 26.31 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 104.901 -2.259 . . . . 1.0 104.901 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -64.15 -24.57 67.73 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.715 -0.846 . . . . 1.0 108.715 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.65 10.17 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.643 0.979 . . . . 1.0 113.643 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -100.93 -34.86 9.61 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -91.92 53.43 2.19 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 105.522 -2.029 . . . . 1.0 105.522 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.68 0 O-C-N 120.85 -1.156 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.877 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -57.8 -13.3 4.01 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.852 1.31 . . . . 1.0 112.459 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.78 -38.48 64.65 Favored 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 103.244 -2.873 . . . . 1.0 103.244 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -55.62 -11.75 1.01 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.955 -1.02 . . . . 1.0 111.213 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 87.4 t80 -126.64 -25.55 3.39 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.689 0.996 . . . . 1.0 113.689 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tp -90.78 -38.16 13.18 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.538 -2.023 . . . . 1.0 105.538 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 6.2 t30 -90.69 -45.31 8.94 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 112.576 -2.102 . . . . 1.0 111.983 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 30' ' ' LEU . 8.3 tt -54.3 -31.01 53.0 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 123.647 1.689 . . . . 1.0 107.909 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 2.4 tm? -73.18 -39.57 65.49 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 111.359 -2.655 . . . . 1.0 109.086 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -27.59 60.7 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.938 -1.905 . . . . 1.0 107.42 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 29' ' ' ASN . 11.8 mmt85 -81.05 -28.54 35.3 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.228 -1.389 . . . . 1.0 109.191 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -23.68 21.14 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 118.16 -1.416 . . . . 1.0 108.071 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -100.75 -52.83 3.22 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 119.488 -0.885 . . . . 1.0 110.929 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -91.29 57.17 3.3 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 101.709 -3.441 . . . . 1.0 101.709 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.534 0 O-C-N 120.436 -1.415 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.788 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -67.5 -4.17 10.71 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.948 0.88 . . . . 1.0 112.048 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.59 -28.58 63.91 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 105.378 -2.082 . . . . 1.0 105.378 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -60.06 -17.52 39.96 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 107.037 -1.468 . . . . 1.0 107.037 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -122.38 -16.41 7.36 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.227 0.454 . . . . 1.0 112.227 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.49 -37.84 13.63 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 105.524 -2.028 . . . . 1.0 105.524 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.98 -41.13 12.55 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 112.611 -2.086 . . . . 1.0 111.566 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.33 -24.96 68.09 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 118.335 -1.346 . . . . 1.0 107.871 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.12 -41.59 11.56 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.467 -1.697 . . . . 1.0 110.505 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -25.94 60.85 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 115.288 -2.565 . . . . 1.0 108.836 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -10.63 59.6 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.724 -1.59 . . . . 1.0 110.894 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.48 -21.49 10.82 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.0 108.57 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -98.37 -48.98 4.84 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 115.37 -0.832 . . . . 1.0 109.395 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -91.0 50.89 1.85 Allowed 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 102.967 -2.975 . . . . 1.0 102.967 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 O-C-N 120.558 -1.339 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.878 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.4 tp -53.24 -20.71 4.4 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 123.275 1.512 . . . . 1.0 112.928 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.72 -41.18 83.9 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 103.697 -2.705 . . . . 1.0 103.697 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -46.0 -27.08 0.84 Allowed 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 119.472 -0.891 . . . . 1.0 110.497 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -114.11 -22.74 9.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 113.95 1.092 . . . . 1.0 113.95 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -91.74 -38.52 12.35 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 124.485 2.088 . . . . 1.0 108.157 -179.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 2.4 t30 -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 110.861 -2.881 . . . . 1.0 110.678 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 30' ' ' LEU . 10.5 tt -90.06 -16.68 29.21 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.45 -2.056 . . . . 1.0 105.45 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -88.83 -47.0 8.51 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 118.44 -0.79 . . . . 1.0 111.16 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -60.25 -25.68 65.86 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 115.691 -2.404 . . . . 1.0 108.615 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -80.83 -15.86 55.24 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 114.633 -1.167 . . . . 1.0 113.034 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -107.62 -24.44 11.75 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 121.593 0.711 . . . . 1.0 109.125 179.525 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -100.51 -45.61 5.48 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.152 -1.385 . . . . 1.0 114.202 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -86.24 48.23 1.59 Allowed 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 123.462 1.601 . . . . 1.0 107.202 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.569 0 O-C-N 120.288 -1.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . 0.41 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.213 -0.83 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.16 -8.61 0.72 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 123.029 1.395 . . . . 1.0 112.242 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.0 mmm-85 -63.11 -40.93 99.06 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 102.338 -3.208 . . . . 1.0 102.338 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -46.7 -20.98 0.15 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.153 -1.385 . . . . 1.0 111.447 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 90.8 t80 -117.63 -30.81 5.37 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.053 1.501 . . . . 1.0 115.053 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 tp -90.96 -36.43 14.11 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 124.594 2.14 . . . . 1.0 107.808 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 4.0 t30 -78.46 -42.26 30.36 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 111.302 -2.681 . . . . 1.0 107.408 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.14 -28.78 69.89 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.163 -2.162 . . . . 1.0 105.163 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -68.73 -44.16 74.42 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.143 -1.799 . . . . 1.0 106.143 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -69.63 -26.56 64.48 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 116.469 -2.093 . . . . 1.0 108.408 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.62 -31.94 57.73 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.77 -0.772 . . . . 1.0 111.197 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 -18.86 17.88 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.888 -0.725 . . . . 1.0 110.8 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.58 -48.54 4.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 118.248 -0.882 . . . . 1.0 109.93 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.73 55.09 3.06 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 103.675 -2.713 . . . . 1.0 103.675 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.61 0 O-C-N 120.216 -1.552 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.786 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 tp -63.77 -9.32 13.88 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 122.602 1.191 . . . . 1.0 112.61 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -69.41 -33.29 72.78 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 104.15 -2.537 . . . . 1.0 104.15 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -64.48 -6.59 7.67 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.116 -1.434 . . . . 1.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 37.0 t80 -123.54 -25.69 4.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 114.173 1.175 . . . . 1.0 114.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.84 -37.13 13.11 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -90.41 -38.54 13.23 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 112.998 -1.91 . . . . 1.0 111.303 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.88 -30.05 70.61 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.066 -1.827 . . . . 1.0 106.066 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.03 -21.74 59.84 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.129 -1.396 . . . . 1.0 110.911 -179.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -40.07 15.06 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 103.229 -2.878 . . . . 1.0 103.229 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -63.2 -18.37 63.43 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.385 -0.969 . . . . 1.0 108.385 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.15 -35.51 6.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.857 0.723 . . . . 1.0 112.888 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -29.76 12.15 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.223 -0.991 . . . . 1.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -99.5 23.44 9.41 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 104.956 -2.239 . . . . 1.0 104.956 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 119.845 -1.784 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -0.983 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -53.06 -14.34 0.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.926 0.869 . . . . 1.0 113.026 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.73 -43.51 79.81 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 102.801 -3.037 . . . . 1.0 102.801 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -42.73 -30.46 0.38 Allowed 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.622 1.201 . . . . 1.0 111.642 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 81.4 t80 -112.32 -25.26 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 115.598 1.703 . . . . 1.0 115.598 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -85.52 -38.31 18.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.155 -2.165 . . . . 1.0 105.155 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -67.82 -42.8 80.94 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.389 -2.078 . . . . 1.0 105.389 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 tt -68.26 -24.34 64.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.916 -1.493 . . . . 1.0 107.406 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -78.75 -36.44 43.15 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.905 -1.118 . . . . 1.0 111.116 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -77.09 -26.98 54.0 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 116.154 -2.218 . . . . 1.0 106.808 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -9.16 59.88 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 117.63 -1.628 . . . . 1.0 111.356 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.17 -28.79 8.48 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.902 -0.777 . . . . 1.0 108.902 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' NH1' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.45 -41.86 6.83 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 118.432 -0.794 . . . . 1.0 112.419 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -89.89 50.29 1.86 Allowed 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 105.731 -1.951 . . . . 1.0 105.731 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 O-C-N 120.313 -1.492 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.966 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 tp -53.79 -13.79 0.79 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 123.262 1.506 . . . . 1.0 113.385 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.11 -42.05 94.34 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 102.773 -3.047 . . . . 1.0 102.773 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -43.94 -30.58 0.72 Allowed 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.789 1.28 . . . . 1.0 112.519 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 61.4 t80 -111.02 -20.87 12.26 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 113.94 -1.482 . . . . 1.0 114.736 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -91.33 -37.92 12.95 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 124.332 2.015 . . . . 1.0 107.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -72.05 -40.51 68.32 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 111.244 -2.707 . . . . 1.0 106.643 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.2 -22.16 58.19 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.804 -1.554 . . . . 1.0 106.804 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -71.81 -40.59 69.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 118.592 -1.243 . . . . 1.0 108.938 -179.492 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 t -73.44 -32.71 64.52 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 116.302 -2.159 . . . . 1.0 106.532 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -68.76 -27.93 66.35 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 119.125 -1.03 . . . . 1.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -25.59 14.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 124.307 1.004 . . . . 1.0 112.297 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -100.3 -39.62 7.92 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.271 1.582 . . . . 1.0 115.271 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.1 -17.42 43.17 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 105.069 -2.197 . . . . 1.0 105.069 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 119.854 -1.779 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.829 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 28' ' ' LEU . 1.1 tm? -59.22 -13.49 7.78 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 122.854 1.312 . . . . 1.0 112.637 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -35.04 78.41 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 104.531 -2.396 . . . . 1.0 104.531 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -53.8 -21.74 8.08 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.97 -1.092 . . . . 1.0 111.326 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -118.64 -18.06 9.11 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 114.498 1.296 . . . . 1.0 114.498 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.674 ' HB2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -91.08 -39.74 12.01 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.765 -1.939 . . . . 1.0 105.765 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -77.4 -40.79 42.4 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.108 -1.86 . . . . 1.0 107.63 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.72 -29.3 70.02 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 105.028 -2.212 . . . . 1.0 105.028 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -41.9 73.95 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -71.41 -33.44 69.45 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.572 -2.051 . . . . 1.0 107.865 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -71.97 -21.3 61.61 Favored 'General case' 0 C--N 1.306 -1.321 0 C-N-CA 120.134 -0.626 . . . . 1.0 110.782 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -27.4 12.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 123.903 0.752 . . . . 1.0 111.606 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.79 -42.0 6.65 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 118.241 -0.885 . . . . 1.0 113.214 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.71 61.62 6.42 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 105.893 -1.891 . . . . 1.0 105.893 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.594 0 O-C-N 119.939 -1.726 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.912 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.59 -12.89 1.33 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 122.551 1.167 . . . . 1.0 113.169 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -65.66 -39.71 91.67 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 102.711 -3.07 . . . . 1.0 102.711 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -44.94 -27.4 0.53 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 122.581 1.181 . . . . 1.0 111.801 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.523 ' CE1' HD23 ' A' ' 31' ' ' LEU . 46.2 t80 -112.09 -31.92 6.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.238 1.57 . . . . 1.0 115.238 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -81.09 -37.06 29.56 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 106.047 -1.834 . . . . 1.0 106.047 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -72.85 -34.16 66.59 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-N 111.965 -2.38 . . . . 1.0 106.077 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.17 -19.24 43.8 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.426 -1.324 . . . . 1.0 107.426 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.5 -43.39 69.78 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.015 -1.476 . . . . 1.0 107.015 -179.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.4 t -71.3 -26.89 63.05 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 116.161 -2.216 . . . . 1.0 106.849 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 33' ' ' ARG . 1.5 mmt85 -73.68 -30.89 63.16 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.806 -1.158 . . . . 1.0 111.887 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -20.51 16.42 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -100.58 -40.67 7.29 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 118.511 -0.757 . . . . 1.0 112.854 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -92.64 6.71 46.35 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 104.326 -2.472 . . . . 1.0 104.326 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.507 0 O-C-N 119.585 -1.947 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.8 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.58 -10.05 16.5 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 122.726 1.251 . . . . 1.0 112.571 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.57 -30.62 67.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.256 -2.498 . . . . 1.0 104.256 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 7.0 t-80 -67.25 -4.04 9.5 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 118.356 -1.338 . . . . 1.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 23.3 t80 -125.69 -26.09 3.57 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -36.96 13.36 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.929 -1.878 . . . . 1.0 105.929 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.601 ' O ' HG22 ' A' ' 32' ' ' THR . 1.9 t30 -91.03 -42.27 10.62 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 113.762 -1.563 . . . . 1.0 112.039 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 30' ' ' LEU . 9.8 tt -64.83 -23.4 67.22 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 118.334 -1.346 . . . . 1.0 108.198 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -82.21 -21.65 36.31 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.537 -1.665 . . . . 1.0 110.407 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 29' ' ' ASN . 7.2 t -74.46 -32.96 62.78 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 104.253 -2.499 . . . . 1.0 104.253 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -65.44 -23.43 66.93 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 114.794 -1.094 . . . . 1.0 111.256 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -26.17 11.03 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.997 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -37.96 8.61 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 113.83 1.048 . . . . 1.0 113.83 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.54 -13.56 39.84 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 103.094 -2.928 . . . . 1.0 103.094 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 120.158 -1.588 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.827 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.54 -10.12 4.66 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.741 1.258 . . . . 1.0 112.814 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -70.01 -35.55 74.44 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 104.422 -2.436 . . . . 1.0 104.422 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.96 -9.59 7.44 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 117.486 -1.685 . . . . 1.0 111.87 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 12.8 t80 -122.66 -25.83 4.62 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.052 0.76 . . . . 1.0 113.052 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.3 -35.42 14.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.545 -1.65 . . . . 1.0 106.545 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 3.0 t30 -83.98 -38.68 20.66 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 117.784 -1.567 . . . . 1.0 107.595 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.87 -27.95 69.16 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 105.073 -2.195 . . . . 1.0 105.073 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.11 -39.65 86.73 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 108.085 -1.08 . . . . 1.0 108.085 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 29' ' ' ASN . 1.6 t -78.11 -31.71 50.12 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 116.946 -1.902 . . . . 1.0 107.248 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -74.67 -22.09 59.06 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.833 -1.147 . . . . 1.0 108.854 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.07 -23.39 13.31 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.866 -0.734 . . . . 1.0 111.547 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -43.08 6.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 118.378 -0.82 . . . . 1.0 110.825 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.91 58.71 5.22 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 104.595 -2.372 . . . . 1.0 104.595 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.203 -1.561 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.891 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.46 -11.93 1.49 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 122.394 1.092 . . . . 1.0 112.928 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.97 -37.93 82.13 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 103.55 -2.759 . . . . 1.0 103.55 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.27 -24.72 1.93 Allowed 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 122.096 0.951 . . . . 1.0 111.531 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 55.5 t80 -113.78 -29.15 7.18 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.651 1.352 . . . . 1.0 114.651 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.65 -33.97 21.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.941 -1.503 . . . . 1.0 106.941 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.4 t30 -74.85 -43.25 55.52 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.429 -2.434 . . . . 1.0 104.429 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 30' ' ' LEU . 7.8 tt -62.67 -30.26 71.25 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.096 -1.816 . . . . 1.0 106.096 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -70.18 -39.56 75.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.825 -1.15 . . . . 1.0 107.938 -179.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' ASN . 1.3 t -71.52 -30.13 65.57 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 115.943 -2.303 . . . . 1.0 106.238 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -75.24 -23.94 57.6 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 119.017 -1.073 . . . . 1.0 110.485 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -30.58 13.76 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 118.966 -1.094 . . . . 1.0 110.983 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -44.05 6.04 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.322 1.014 . . . . 1.0 112.923 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -86.7 50.67 2.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.361 -2.089 . . . . 1.0 105.361 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 O-C-N 119.75 -1.844 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.843 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.29 -19.76 5.93 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 122.474 1.131 . . . . 1.0 112.628 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -74.29 -40.65 62.13 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 103.736 -2.69 . . . . 1.0 103.736 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -47.38 -25.52 1.05 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.408 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 59.8 t80 -116.09 -22.45 8.95 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -87.62 -38.94 15.48 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 124.125 1.917 . . . . 1.0 105.904 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -74.43 -40.3 62.06 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 111.324 -2.671 . . . . 1.0 107.722 -179.434 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 30' ' ' LEU . 8.5 tt -73.18 -20.18 60.95 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.747 -1.205 . . . . 1.0 107.747 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -80.13 -46.84 15.72 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 118.953 -1.099 . . . . 1.0 109.082 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -64.37 -29.57 70.63 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 115.95 -2.3 . . . . 1.0 107.634 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -73.1 -22.21 60.61 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.117 -0.947 . . . . 1.0 112.868 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -22.63 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 123.888 0.742 . . . . 1.0 111.769 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.29 -43.56 6.23 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 115.233 -0.894 . . . . 1.0 112.497 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.59 -6.37 59.17 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 104.752 -2.314 . . . . 1.0 104.752 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.544 0 O-C-N 119.985 -1.697 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . 0.413 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.809 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.74 -9.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 122.294 1.045 . . . . 1.0 112.16 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 8.3 mmm180 -63.06 -45.07 93.95 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 102.723 -3.066 . . . . 1.0 102.723 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -44.94 -23.44 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 113.053 -1.885 . . . . 1.0 112.647 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 16.1 t80 -121.82 -28.77 4.43 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.29 1.959 . . . . 1.0 116.29 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -91.04 -37.39 13.47 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.567 ' HA ' HG22 ' A' ' 32' ' ' THR . 1.3 t30 -82.07 -40.66 21.66 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 113.173 -1.831 . . . . 1.0 108.177 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.75 -26.02 65.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 105.833 -1.914 . . . . 1.0 105.833 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -84.85 -43.83 13.79 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 113.76 -1.564 . . . . 1.0 112.081 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.567 HG22 ' HA ' ' A' ' 29' ' ' ASN . 6.1 t -70.28 -28.77 65.47 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 116.33 -2.148 . . . . 1.0 107.976 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -8.17 59.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 119.656 -0.818 . . . . 1.0 111.843 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -25.72 8.15 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.751 -0.833 . . . . 1.0 108.751 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -44.68 5.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.186 -0.912 . . . . 1.0 112.424 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.43 57.98 3.91 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 105.914 -1.884 . . . . 1.0 105.914 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.633 0 O-C-N 119.197 -2.189 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.768 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.19 -11.36 1.64 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 123.114 1.435 . . . . 1.0 112.918 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 7.7 mmm180 -75.68 -48.65 21.11 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 102.673 -3.084 . . . . 1.0 102.673 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -42.68 -30.25 0.36 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.067 -1.053 . . . . 1.0 113.106 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.415 ' O ' HD23 ' A' ' 31' ' ' LEU . 70.0 t80 -109.99 -30.88 7.59 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 116.504 2.038 . . . . 1.0 116.504 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 123.91 1.814 . . . . 1.0 108.152 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -77.77 -25.63 49.22 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 111.512 -2.585 . . . . 1.0 109.683 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tt -86.55 -24.73 25.36 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.324 -2.473 . . . . 1.0 104.324 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -65.56 -38.88 90.86 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.052 -1.092 . . . . 1.0 108.052 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 29' ' ' ASN . 4.8 t -74.08 -31.21 62.73 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 117.367 -1.733 . . . . 1.0 107.202 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -21.92 57.95 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.504 -0.878 . . . . 1.0 110.434 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -30.44 11.66 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 120.124 -0.63 . . . . 1.0 110.841 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -39.81 7.76 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 113.896 1.073 . . . . 1.0 113.896 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.08 -1.47 57.41 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 106.535 -1.654 . . . . 1.0 106.535 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.556 0 O-C-N 119.445 -2.034 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . 0.4 ' C ' ' H ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.32 -7.51 1.33 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 123.067 1.413 . . . . 1.0 112.275 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 18.6 mmm180 -67.32 -43.61 81.2 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 102.346 -3.205 . . . . 1.0 102.346 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -47.13 -19.87 0.14 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 114.456 -1.247 . . . . 1.0 112.366 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -119.44 -34.69 3.75 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.917 1.451 . . . . 1.0 114.917 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -90.49 -33.23 16.04 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 123.299 1.523 . . . . 1.0 107.668 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 1.3 t30 -81.63 -37.55 27.38 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 113.285 -1.779 . . . . 1.0 109.262 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 30' ' ' LEU . 7.8 tt -72.74 -22.3 60.89 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.609 -1.256 . . . . 1.0 107.609 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -37.86 20.21 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.249 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.4 t -62.14 -30.77 71.27 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 116.141 -2.223 . . . . 1.0 107.677 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -68.16 -35.24 77.75 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 114.228 1.196 . . . . 1.0 114.228 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.62 -20.27 18.43 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 114.449 -1.251 . . . . 1.0 111.676 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.26 -49.97 4.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.432 -1.258 . . . . 1.0 114.281 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -81.84 -20.96 37.9 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 103.022 -2.955 . . . . 1.0 103.022 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 120.368 -1.458 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.93 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 28' ' ' LEU . 1.6 tm? -56.42 -13.08 1.99 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 123.867 1.794 . . . . 1.0 112.522 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -67.21 -39.08 86.23 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 103.135 -2.913 . . . . 1.0 103.135 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -47.32 -28.25 1.93 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.279 -0.968 . . . . 1.0 111.57 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -110.37 -24.25 10.73 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.938 1.458 . . . . 1.0 114.938 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' HD13 ' A' ' 24' ' ' LEU . 5.4 tp -90.65 -37.59 13.67 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.218 -1.771 . . . . 1.0 106.218 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.711 ' O ' HG22 ' A' ' 32' ' ' THR . 0.5 OUTLIER -73.02 -40.43 65.18 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 112.724 -2.034 . . . . 1.0 106.505 -179.686 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 8.1 tt -66.62 -28.12 68.24 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 106.389 -1.708 . . . . 1.0 106.389 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -32.87 74.51 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.161 -0.927 . . . . 1.0 109.663 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 29' ' ' ASN . 4.0 t -75.45 -18.78 59.78 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 116.815 -1.954 . . . . 1.0 106.886 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -78.49 -28.06 46.32 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 117.723 -1.591 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 4.0 mm100 -101.64 -32.23 10.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 120.161 -0.616 . . . . 1.0 112.028 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -42.04 11.15 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.897 -1.121 . . . . 1.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' THR . 2.5 m-85 -84.35 -1.76 55.98 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 105.8 -1.926 . . . . 1.0 105.8 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.519 0 O-C-N 119.408 -2.058 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.885 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.75 -11.27 2.99 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 123.193 1.473 . . . . 1.0 112.526 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -68.03 -41.95 81.33 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 101.149 -3.649 . . . . 1.0 101.149 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -49.02 -18.65 0.32 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.937 -0.705 . . . . 1.0 110.773 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.486 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 76.8 t80 -115.27 -25.81 7.87 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.89 -40.46 11.16 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 125.292 2.472 . . . . 1.0 108.208 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -75.55 -31.25 60.0 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 109.701 -3.408 . . . . 1.0 110.181 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 30' ' ' LEU . 6.2 tt -85.08 -19.17 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.893 -2.262 . . . . 1.0 104.893 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -73.09 -49.31 29.22 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 106.292 -1.744 . . . . 1.0 106.292 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 36' ' ' TYR . 5.5 t -64.87 -23.73 67.32 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 117.707 -1.597 . . . . 1.0 108.548 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.45 -33.36 32.09 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.124 -1.031 . . . . 1.0 111.715 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.58 -16.35 21.09 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.671 -0.811 . . . . 1.0 110.569 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.3 -48.56 4.77 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 32' ' ' THR . 12.1 m-85 -95.29 51.41 1.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 101.142 -3.651 . . . . 1.0 101.142 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.573 0 O-C-N 121.026 -1.047 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.801 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.8 -10.68 13.89 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.854 1.311 . . . . 1.0 113.217 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -30.34 70.43 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -59.74 -17.62 36.43 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 118.043 -1.463 . . . . 1.0 110.739 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -120.24 -17.32 8.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -39.89 12.35 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 1.0 105.692 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' A' ' 33' ' ' ARG . 4.3 t30 -86.74 -41.95 13.73 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 112.446 -2.161 . . . . 1.0 110.635 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.29 -23.1 65.45 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 118.981 -1.088 . . . . 1.0 108.14 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -86.14 -50.53 6.94 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-O 116.28 -1.819 . . . . 1.0 109.952 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.3 t -58.7 -34.23 71.07 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 115.62 -2.432 . . . . 1.0 108.262 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' HG3' ' ND2' ' A' ' 29' ' ' ASN . 1.1 mmm180 -64.14 -28.87 70.06 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.352 -1.749 . . . . 1.0 112.127 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -7.51 13.25 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.928 1.084 . . . . 1.0 113.928 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -100.65 -50.47 3.87 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 114.586 -1.188 . . . . 1.0 108.696 179.527 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.01 -11.57 59.77 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 104.637 -2.357 . . . . 1.0 104.637 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 119.558 -1.964 . . . . 1.0 . . . . . . . . . . 0 0 . 1 stop_ save_