data_2me3_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 2me3 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.502 ' N ' HD21 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.15 102.99 0.24 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.388 -0.82 . . . . 0.0 109.329 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 59.0 mt -54.22 -24.02 16.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.656 -0.653 . . . . 0.0 110.112 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.99 -29.13 65.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.521 -0.737 . . . . 0.0 109.053 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 12.5 t -93.39 -25.16 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.576 -0.702 . . . . 0.0 109.921 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -75.29 -32.83 61.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.803 . . . . 0.0 110.295 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -47.09 -29.81 2.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.563 -0.711 . . . . 0.0 110.027 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -68.16 -42.17 80.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 109.542 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -70.03 -39.91 75.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.095 -1.003 . . . . 0.0 110.323 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.3 -31.29 72.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.686 -1.259 . . . . 0.0 109.796 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -80.43 -25.46 38.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.05 -1.031 . . . . 0.0 110.268 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.501 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.52 -59.23 4.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 110.738 -179.195 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.439 -0.788 . . . . 0.0 110.303 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.51 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.103 0.477 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.99 104.24 0.35 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.382 -0.824 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.31 -23.47 15.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.751 -0.593 . . . . 0.0 110.278 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.65 -30.58 68.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.475 -0.766 . . . . 0.0 109.186 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 9.3 t -93.5 -23.87 18.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.581 -0.699 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -77.14 -32.14 56.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.8 . . . . 0.0 110.594 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -46.47 -29.54 1.79 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.483 -0.761 . . . . 0.0 110.337 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -40.32 80.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.623 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.75 -39.82 66.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 110.407 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.605 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.09 -31.6 72.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.676 -1.265 . . . . 0.0 109.635 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.56 -25.24 38.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.166 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.508 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.46 -58.85 4.79 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.473 -0.767 . . . . 0.0 110.707 -179.15 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.753 . . . . 0.0 110.225 -179.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.072 0.463 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.01 103.37 0.26 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.301 -0.874 . . . . 0.0 109.356 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.28 -23.8 16.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.728 -0.608 . . . . 0.0 110.095 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.25 -29.66 66.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.075 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 4.1 t -93.42 -24.54 18.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.618 -0.676 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -76.51 -32.28 58.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 110.506 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -46.96 -29.55 2.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.537 -0.727 . . . . 0.0 110.416 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.85 80.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.714 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -73.75 -39.48 64.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.291 179.204 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.603 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.04 -31.59 72.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 109.664 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -80.85 -24.67 38.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.45 -58.75 5.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.592 -0.693 . . . . 0.0 110.749 -179.24 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.478 -0.764 . . . . 0.0 110.207 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.014 0.435 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.34 103.26 0.28 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.203 -0.936 . . . . 0.0 109.328 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.96 -26.14 24.23 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.474 0.654 . . . . 0.0 109.933 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.27 -28.42 66.29 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.37 -24.44 18.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.71 . . . . 0.0 109.963 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -75.93 -32.35 59.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.358 -0.838 . . . . 0.0 110.405 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -46.81 -29.47 1.98 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.317 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -40.06 79.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.581 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.81 -39.55 66.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.026 -1.046 . . . . 0.0 110.365 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.603 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.06 -31.68 72.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.64 -1.288 . . . . 0.0 109.554 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.63 -24.88 38.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 110.114 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.514 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.52 -58.8 4.93 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.569 -0.707 . . . . 0.0 110.703 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 110.231 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.039 0.447 . . . . 0.0 111.48 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.06 113.56 2.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 21.3 mt -52.77 -22.7 5.62 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.06 -178.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.95 -27.57 68.93 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -33.31 13.89 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 109.586 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 661' ' ' LEU . 23.7 m95 -78.85 -31.05 45.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.704 -0.622 . . . . 0.0 110.686 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.33 -30.93 3.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 0.0 110.224 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -39.16 84.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -75.91 -39.17 56.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.575 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.2 OUTLIER -64.65 -30.86 71.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.649 -1.282 . . . . 0.0 109.838 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -24.29 36.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.101 -1.0 . . . . 0.0 109.718 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.515 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.57 -58.73 5.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.472 -0.767 . . . . 0.0 110.613 -179.201 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.522 -0.736 . . . . 0.0 110.165 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.502 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.086 0.47 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.1 102.77 0.23 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.366 -0.834 . . . . 0.0 109.32 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 20.2 mt -54.14 -23.93 16.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.672 -0.642 . . . . 0.0 110.101 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -70.32 -29.53 66.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.393 -0.817 . . . . 0.0 109.109 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -25.13 17.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.55 -0.719 . . . . 0.0 110.014 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -75.39 -32.84 60.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.393 -0.817 . . . . 0.0 110.403 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -47.09 -29.76 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.871 -0.731 . . . . 0.0 110.059 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -68.36 -42.15 79.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.443 -0.786 . . . . 0.0 109.583 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.09 -39.82 75.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.021 -1.049 . . . . 0.0 110.286 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.604 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.649 -1.282 . . . . 0.0 109.767 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -80.31 -25.59 39.26 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 110.28 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.501 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.43 -59.22 4.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.512 -0.743 . . . . 0.0 110.752 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.489 ' N ' HD21 ' A' ' 661' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.0 0.428 . . . . 0.0 111.13 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.03 104.03 0.33 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 109.317 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.95 -25.86 22.76 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.499 0.666 . . . . 0.0 109.973 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -29.35 67.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.567 -0.708 . . . . 0.0 109.109 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 5.0 m -93.35 -26.48 17.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 0.0 109.916 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -74.17 -32.77 63.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.497 -0.752 . . . . 0.0 110.21 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -32.94 15.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.752 . . . . 0.0 110.003 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . 0.42 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 35.0 m-80 -65.45 -26.78 68.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.378 -0.826 . . . . 0.0 109.769 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.65 -37.44 18.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.097 -1.002 . . . . 0.0 110.333 179.073 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.33 -31.01 72.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.688 -1.258 . . . . 0.0 110.698 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . 0.42 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 3.4 p-10 -82.36 -20.97 36.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.214 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER -51.42 -58.71 5.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.393 -0.817 . . . . 0.0 110.531 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.415 -0.803 . . . . 0.0 110.085 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.506 HD22 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.044 0.449 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.22 104.45 0.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.86 -25.8 21.58 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.419 0.628 . . . . 0.0 110.13 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 -30.0 69.38 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.606 -0.684 . . . . 0.0 109.188 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' SER . . . . . 0.4 ' O ' ' ND2' ' A' ' 668' ' ' ASN . 73.8 p -93.42 -23.92 18.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.594 -0.691 . . . . 0.0 109.991 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -76.92 -31.65 56.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.566 -0.709 . . . . 0.0 110.597 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -48.91 -32.73 9.45 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.352 -0.842 . . . . 0.0 110.383 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . 0.424 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 0.0 OUTLIER -65.64 -26.91 68.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.296 -0.878 . . . . 0.0 109.931 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.91 -37.6 17.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.999 -1.063 . . . . 0.0 110.551 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.5 -31.23 72.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.801 -1.187 . . . . 0.0 110.761 -178.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . 0.424 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 2.8 p-10 -81.58 -22.55 37.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.845 -1.16 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.99 -59.14 4.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.368 -0.832 . . . . 0.0 110.666 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.427 -0.796 . . . . 0.0 110.208 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.496 ' N ' HD21 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.061 0.457 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.23 103.52 0.3 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 23.0 mt -54.07 -24.09 16.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.709 -0.619 . . . . 0.0 110.183 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.38 -28.94 65.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 109.097 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 94.3 p -93.42 -24.69 17.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.596 -0.69 . . . . 0.0 109.98 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.7 m95 -75.6 -32.78 60.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 110.443 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -47.17 -29.87 2.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.522 -0.736 . . . . 0.0 109.988 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -68.37 -42.56 78.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.545 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -69.36 -39.87 77.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 110.281 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.603 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.775 -1.203 . . . . 0.0 109.625 -179.648 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -80.33 -25.58 39.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.501 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.71 -59.18 4.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.544 -0.722 . . . . 0.0 110.714 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.528 -0.732 . . . . 0.0 110.236 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.06 0.457 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.97 104.45 0.37 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.182 -0.949 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.6 pp -54.1 -25.74 23.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.428 0.632 . . . . 0.0 110.099 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -67.65 -30.29 69.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.587 -0.695 . . . . 0.0 109.226 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 1.7 t -93.56 -25.58 17.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.511 -0.743 . . . . 0.0 110.098 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -75.3 -32.94 61.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.42 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -47.11 -29.76 2.42 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.069 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -68.39 -41.84 79.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.388 -0.82 . . . . 0.0 109.597 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.6 OUTLIER -70.51 -39.73 73.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 110.313 179.202 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' TRP . . . . . 0.604 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.4 -31.22 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 109.727 -179.59 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -80.41 -25.48 39.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.072 -1.018 . . . . 0.0 110.244 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.503 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.58 -59.18 4.31 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.531 -0.731 . . . . 0.0 110.777 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.545 -0.722 . . . . 0.0 110.353 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.218 0.532 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -161.34 52.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.358 -0.839 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.0 -174.94 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.291 -0.881 . . . . 0.0 110.124 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.44 ' CD2' ' H ' ' A' ' 660' ' ' LEU . 0.6 OUTLIER -75.89 -35.17 59.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.401 -0.812 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.502 ' N ' HD21 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -88.02 23.07 2.18 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.617 -0.677 . . . . 0.0 110.937 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.15 102.99 0.24 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.388 -0.82 . . . . 0.0 109.329 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 59.0 mt -54.22 -24.02 16.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.656 -0.653 . . . . 0.0 110.112 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.99 -29.13 65.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.521 -0.737 . . . . 0.0 109.053 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 12.5 t -93.39 -25.16 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.576 -0.702 . . . . 0.0 109.921 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -75.29 -32.83 61.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.803 . . . . 0.0 110.295 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -47.09 -29.81 2.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.563 -0.711 . . . . 0.0 110.027 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -68.16 -42.17 80.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 109.542 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -70.03 -39.91 75.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.095 -1.003 . . . . 0.0 110.323 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.3 -31.29 72.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.686 -1.259 . . . . 0.0 109.796 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -80.43 -25.46 38.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.05 -1.031 . . . . 0.0 110.268 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.501 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.52 -59.23 4.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 110.738 -179.195 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -63.48 96.13 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.439 -0.788 . . . . 0.0 110.303 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -99.36 48.53 0.95 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.409 -0.807 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.873 ' HA ' ' NE1' ' A' ' 678' ' ' TRP . 1.1 pp -52.73 -40.3 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.459 -0.775 . . . . 0.0 111.048 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.449 ' H ' HG13 ' A' ' 675' ' ' ILE . 7.8 t -56.01 -24.9 41.86 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.15 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.407 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.8 t-20 -75.99 -50.63 14.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.593 -0.692 . . . . 0.0 109.909 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.873 ' NE1' ' HA ' ' A' ' 675' ' ' ILE . 16.6 p-90 -84.59 -17.12 39.76 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.565 -1.254 . . . . 0.0 111.305 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 682' ' ' ILE . 28.8 mt -71.52 -21.55 61.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -0.752 . . . . 0.0 110.23 178.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.3 p-90 -49.58 -22.16 1.2 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.945 -1.097 . . . . 0.0 111.788 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 681' ' ' TYR . 0.1 OUTLIER -100.54 -4.55 28.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.213 -0.929 . . . . 0.0 112.759 -178.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 679' ' ' LEU . 2.3 pp -77.72 -25.3 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.523 -1.36 . . . . 0.0 111.044 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 11.6 mttp . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.202 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.179 0.514 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt 52.08 -170.83 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.352 -0.843 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 161.81 10.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.376 -0.828 . . . . 0.0 110.259 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.46 -21.65 35.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.252 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.68 22.75 2.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.711 . . . . 0.0 110.936 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.99 104.24 0.35 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.382 -0.824 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.31 -23.47 15.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.751 -0.593 . . . . 0.0 110.278 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.65 -30.58 68.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.475 -0.766 . . . . 0.0 109.186 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 9.3 t -93.5 -23.87 18.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.581 -0.699 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -77.14 -32.14 56.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.8 . . . . 0.0 110.594 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -46.47 -29.54 1.79 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.483 -0.761 . . . . 0.0 110.337 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -40.32 80.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.623 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.75 -39.82 66.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 110.407 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.605 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.09 -31.6 72.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.676 -1.265 . . . . 0.0 109.635 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.56 -25.24 38.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.166 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.508 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.46 -58.85 4.79 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.473 -0.767 . . . . 0.0 110.707 -179.15 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.09 69.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.753 . . . . 0.0 110.225 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . 0.424 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -97.23 89.93 4.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.379 -0.825 . . . . 0.0 110.145 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.853 ' HA ' ' CE2' ' A' ' 678' ' ' TRP . 1.8 mt -59.97 -35.46 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.34 -0.85 . . . . 0.0 109.66 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 99.3 m -55.11 -27.4 44.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.704 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 674' ' ' ASN . 0.9 OUTLIER -76.87 -47.88 19.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 109.948 179.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.853 ' CE2' ' HA ' ' A' ' 675' ' ' ILE . 1.5 p-90 -84.23 -17.31 40.23 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.135 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 682' ' ' ILE . 19.5 mt -70.13 -22.45 63.0 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.494 -0.754 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.416 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.0 p-90 -49.63 -21.38 1.0 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.974 -1.079 . . . . 0.0 111.855 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 681' ' ' TYR . 0.1 OUTLIER -100.18 -4.46 29.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.215 -0.928 . . . . 0.0 112.713 -178.364 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 679' ' ' LEU . 2.4 pp -77.65 -25.15 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.574 -1.329 . . . . 0.0 110.964 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.8 pttp . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.278 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.219 0.533 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -150.64 42.67 0.81 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 177.93 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.342 -0.849 . . . . 0.0 110.203 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.9 mp -87.91 -26.06 22.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.342 -0.849 . . . . 0.0 110.2 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.84 22.97 2.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.584 -0.697 . . . . 0.0 110.914 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.01 103.37 0.26 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.301 -0.874 . . . . 0.0 109.356 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.28 -23.8 16.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.728 -0.608 . . . . 0.0 110.095 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.25 -29.66 66.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.075 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 4.1 t -93.42 -24.54 18.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.618 -0.676 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -76.51 -32.28 58.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 110.506 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -46.96 -29.55 2.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.537 -0.727 . . . . 0.0 110.416 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.85 80.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.714 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -73.75 -39.48 64.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.291 179.204 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.603 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.04 -31.59 72.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 109.664 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -80.85 -24.67 38.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.45 -58.75 5.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.592 -0.693 . . . . 0.0 110.749 -179.24 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.32 61.85 2.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.478 -0.764 . . . . 0.0 110.207 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.58 92.75 6.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.257 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 71.2 mt -62.98 -34.23 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.291 -0.881 . . . . 0.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.4 t -50.78 -26.18 5.33 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.304 -0.873 . . . . 0.0 110.5 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -83.9 -21.7 31.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 109.214 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -80.63 -25.57 38.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 675' ' ' ILE . 12.7 mt -78.18 -18.28 55.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.548 -0.72 . . . . 0.0 111.805 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -46.6 -28.05 1.33 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 110.849 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -90.85 -26.98 19.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.571 -0.706 . . . . 0.0 110.842 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.13 -82.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 118.94 -1.104 . . . . 0.0 111.808 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.348 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.138 0.494 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -151.71 68.64 0.9 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.435 -0.791 . . . . 0.0 110.24 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -175.08 0.06 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.42 -32.94 28.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -85.16 19.48 2.2 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.644 -0.66 . . . . 0.0 111.094 -179.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.34 103.26 0.28 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.203 -0.936 . . . . 0.0 109.328 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.96 -26.14 24.23 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.474 0.654 . . . . 0.0 109.933 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.27 -28.42 66.29 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.37 -24.44 18.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.71 . . . . 0.0 109.963 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -75.93 -32.35 59.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.358 -0.838 . . . . 0.0 110.405 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -46.81 -29.47 1.98 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.317 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -40.06 79.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.581 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.81 -39.55 66.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.026 -1.046 . . . . 0.0 110.365 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.603 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.06 -31.68 72.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.64 -1.288 . . . . 0.0 109.554 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.63 -24.88 38.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 110.114 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.514 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.52 -58.8 4.93 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.569 -0.707 . . . . 0.0 110.703 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.06 72.01 4.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.97 96.84 10.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.187 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.902 ' HA ' ' NE1' ' A' ' 678' ' ' TRP . 1.0 OUTLIER -52.47 -37.9 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.823 . . . . 0.0 110.803 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.479 ' H ' HG13 ' A' ' 675' ' ' ILE . 6.9 t -56.95 -24.31 51.95 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.859 -1.137 . . . . 0.0 108.848 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.447 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -74.86 -50.92 15.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.792 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.902 ' NE1' ' HA ' ' A' ' 675' ' ' ILE . 19.7 p-90 -84.75 -17.47 38.2 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.49 -1.284 . . . . 0.0 111.269 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 675' ' ' ILE . 30.0 mt -71.85 -24.0 61.62 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.395 -0.815 . . . . 0.0 109.836 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.447 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.6 p-90 -50.35 -24.53 3.05 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 111.077 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.475 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -96.18 -23.72 16.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.47 -0.769 . . . . 0.0 110.681 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.7 OUTLIER -122.89 -84.16 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.867 -1.145 . . . . 0.0 110.897 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.033 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.168 0.509 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.44 159.29 35.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.395 -0.816 . . . . 0.0 110.24 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.13 -158.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.405 -0.809 . . . . 0.0 110.195 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.0 mp -91.4 -39.65 11.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.377 -0.827 . . . . 0.0 110.112 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.4 OUTLIER -89.55 21.8 3.27 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.697 -0.627 . . . . 0.0 111.48 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.06 113.56 2.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 21.3 mt -52.77 -22.7 5.62 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.06 -178.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.95 -27.57 68.93 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -33.31 13.89 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 109.586 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 661' ' ' LEU . 23.7 m95 -78.85 -31.05 45.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.704 -0.622 . . . . 0.0 110.686 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.33 -30.93 3.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 0.0 110.224 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -39.16 84.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -75.91 -39.17 56.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.575 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.2 OUTLIER -64.65 -30.86 71.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.649 -1.282 . . . . 0.0 109.838 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -24.29 36.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.101 -1.0 . . . . 0.0 109.718 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.515 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.57 -58.73 5.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.472 -0.767 . . . . 0.0 110.613 -179.201 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -72.94 80.56 1.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.522 -0.736 . . . . 0.0 110.165 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -87.48 60.9 6.29 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.4 -0.813 . . . . 0.0 110.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.448 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 74.3 mt -63.29 -35.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.277 -0.889 . . . . 0.0 110.324 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.5 m -50.7 -27.15 6.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.243 -0.911 . . . . 0.0 110.477 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -82.94 -24.33 33.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 109.187 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -22.55 57.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.684 -0.635 . . . . 0.0 111.002 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 675' ' ' ILE . 11.2 mt -77.39 -17.81 57.86 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.634 -0.666 . . . . 0.0 111.75 -177.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -45.53 -28.05 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.07 -1.019 . . . . 0.0 110.757 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -78.49 -34.78 47.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 111.535 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 1.8 pp -120.42 4.07 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 112.269 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 78.6 tttt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.234 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.191 0.519 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -155.77 91.2 1.28 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.88 172.63 1.27 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.367 -0.833 . . . . 0.0 110.151 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 47.6 mt -83.91 -29.94 26.75 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.502 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.77 23.09 2.09 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.652 -0.655 . . . . 0.0 110.934 -179.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.1 102.77 0.23 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.366 -0.834 . . . . 0.0 109.32 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 20.2 mt -54.14 -23.93 16.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.672 -0.642 . . . . 0.0 110.101 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -70.32 -29.53 66.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.393 -0.817 . . . . 0.0 109.109 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -25.13 17.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.55 -0.719 . . . . 0.0 110.014 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -75.39 -32.84 60.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.393 -0.817 . . . . 0.0 110.403 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -47.09 -29.76 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.871 -0.731 . . . . 0.0 110.059 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -68.36 -42.15 79.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.443 -0.786 . . . . 0.0 109.583 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.09 -39.82 75.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.021 -1.049 . . . . 0.0 110.286 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.604 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.649 -1.282 . . . . 0.0 109.767 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -80.31 -25.59 39.26 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 110.28 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.501 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.43 -59.22 4.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.512 -0.743 . . . . 0.0 110.752 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -61.32 90.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -96.66 57.63 1.61 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.177 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.687 ' HA ' ' CD1' ' A' ' 678' ' ' TRP . 11.1 mt -50.86 -19.76 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.291 -0.881 . . . . 0.0 110.667 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 18.3 m -83.15 -25.49 31.83 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.541 -1.35 . . . . 0.0 109.675 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.7 -52.81 7.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.497 -0.752 . . . . 0.0 111.177 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.687 ' CD1' ' HA ' ' A' ' 675' ' ' ILE . 2.1 p-90 -64.8 -18.11 64.81 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.005 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.49 ' HG ' ' NE1' ' A' ' 678' ' ' TRP . 9.0 mt -70.21 -19.95 63.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.645 -0.66 . . . . 0.0 110.789 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 681' ' ' TYR . 8.5 p-90 -45.26 -32.68 2.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.89 . . . . 0.0 111.636 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.519 ' CE2' HG12 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -71.71 -26.02 62.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.358 -0.839 . . . . 0.0 111.011 -179.117 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.519 HG12 ' CE2' ' A' ' 681' ' ' TYR . 0.5 OUTLIER -115.41 -83.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.491 -1.381 . . . . 0.0 110.559 178.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.163 0.506 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -167.9 139.72 3.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.387 -0.821 . . . . 0.0 110.324 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.14 -158.13 0.23 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.412 -0.805 . . . . 0.0 110.066 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.95 -49.09 8.12 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 110.027 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.489 ' N ' HD21 ' A' ' 661' ' ' LEU . 0.2 OUTLIER -82.79 19.03 1.41 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.828 -0.545 . . . . 0.0 111.13 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.03 104.03 0.33 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 109.317 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.95 -25.86 22.76 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.499 0.666 . . . . 0.0 109.973 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -29.35 67.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.567 -0.708 . . . . 0.0 109.109 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 5.0 m -93.35 -26.48 17.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 0.0 109.916 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -74.17 -32.77 63.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.497 -0.752 . . . . 0.0 110.21 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -32.94 15.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.752 . . . . 0.0 110.003 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . 0.42 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 35.0 m-80 -65.45 -26.78 68.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.378 -0.826 . . . . 0.0 109.769 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.65 -37.44 18.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.097 -1.002 . . . . 0.0 110.333 179.073 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.33 -31.01 72.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.688 -1.258 . . . . 0.0 110.698 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.42 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 3.4 p-10 -82.36 -20.97 36.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.214 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER -51.42 -58.71 5.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.393 -0.817 . . . . 0.0 110.531 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -73.79 145.15 45.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.415 -0.803 . . . . 0.0 110.085 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.18 44.77 1.15 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 32.8 mm -68.8 -30.13 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.7 m -52.21 -26.77 12.5 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.324 -0.86 . . . . 0.0 110.35 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.4 m-80 -83.51 -17.05 43.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.278 -0.889 . . . . 0.0 109.262 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -88.33 -28.32 21.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.742 -0.599 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 675' ' ' ILE . 12.8 mt -76.87 -20.32 56.42 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.517 -0.74 . . . . 0.0 111.64 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.4 p-90 -51.32 -25.95 6.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.98 . . . . 0.0 110.447 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.478 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -100.28 -25.22 14.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.523 -0.736 . . . . 0.0 110.315 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.45 -84.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 118.856 -1.137 . . . . 0.0 110.89 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.215 -179.737 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.244 0.545 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt 52.39 -162.92 0.08 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.292 -0.88 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.92 178.81 0.1 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.36 -0.837 . . . . 0.0 110.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.05 -24.79 19.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.506 HD22 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -86.39 21.23 2.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.549 -0.719 . . . . 0.0 110.976 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.22 104.45 0.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.86 -25.8 21.58 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.419 0.628 . . . . 0.0 110.13 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 -30.0 69.38 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.606 -0.684 . . . . 0.0 109.188 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' SER . . . . . 0.4 ' O ' ' ND2' ' A' ' 668' ' ' ASN . 73.8 p -93.42 -23.92 18.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.594 -0.691 . . . . 0.0 109.991 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -76.92 -31.65 56.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.566 -0.709 . . . . 0.0 110.597 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -48.91 -32.73 9.45 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.352 -0.842 . . . . 0.0 110.383 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . 0.424 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 0.0 OUTLIER -65.64 -26.91 68.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.296 -0.878 . . . . 0.0 109.931 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.91 -37.6 17.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.999 -1.063 . . . . 0.0 110.551 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.5 -31.23 72.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.801 -1.187 . . . . 0.0 110.761 -178.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.424 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 2.8 p-10 -81.58 -22.55 37.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.845 -1.16 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.99 -59.14 4.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.368 -0.832 . . . . 0.0 110.666 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -61.28 96.14 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.427 -0.796 . . . . 0.0 110.208 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -82.29 59.58 4.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.387 -0.821 . . . . 0.0 110.101 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.476 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 1.1 pp -68.86 -30.5 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.406 -0.809 . . . . 0.0 110.804 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.6 m -51.86 -26.0 9.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.084 -1.01 . . . . 0.0 110.384 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.425 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.9 OUTLIER -85.09 -18.37 34.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.354 -0.841 . . . . 0.0 109.393 178.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -85.42 -24.85 27.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.637 -0.664 . . . . 0.0 111.367 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.57 ' O ' HG13 ' A' ' 682' ' ' ILE . 14.8 mt -79.84 -17.51 53.07 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.379 -0.825 . . . . 0.0 112.2 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 3.1 p-90 -48.87 -24.62 1.52 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.788 -1.195 . . . . 0.0 111.327 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.435 ' CD1' HG23 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -101.09 -4.91 26.48 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.385 -0.822 . . . . 0.0 112.615 -178.703 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.57 HG13 ' O ' ' A' ' 679' ' ' LEU . 2.3 pp -78.18 -26.21 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.549 -1.345 . . . . 0.0 110.918 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.262 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.174 0.512 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 29.4 mttt 52.38 -174.09 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -178.91 0.1 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.37 -31.46 42.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.38 -0.825 . . . . 0.0 110.149 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.496 ' N ' HD21 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -86.59 20.97 2.29 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.66 -0.65 . . . . 0.0 111.036 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.23 103.52 0.3 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 23.0 mt -54.07 -24.09 16.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.709 -0.619 . . . . 0.0 110.183 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.38 -28.94 65.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 109.097 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 94.3 p -93.42 -24.69 17.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.596 -0.69 . . . . 0.0 109.98 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.7 m95 -75.6 -32.78 60.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 110.443 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -47.17 -29.87 2.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.522 -0.736 . . . . 0.0 109.988 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -68.37 -42.56 78.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.545 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -69.36 -39.87 77.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 110.281 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.603 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.775 -1.203 . . . . 0.0 109.625 -179.648 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -80.33 -25.58 39.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.501 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.71 -59.18 4.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.544 -0.722 . . . . 0.0 110.714 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.5 131.69 50.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.528 -0.732 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.28 46.64 0.97 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.27 -0.894 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 66.5 mt -65.23 -33.09 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.335 -0.853 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.9 t -50.74 -26.44 5.58 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.218 -0.926 . . . . 0.0 110.437 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -83.25 -21.4 33.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.352 -0.843 . . . . 0.0 109.194 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 675' ' ' ILE . 1.4 m95 -82.6 -27.87 31.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.706 -0.621 . . . . 0.0 111.005 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 675' ' ' ILE . 12.5 mt -76.84 -20.4 56.38 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.64 -0.663 . . . . 0.0 111.509 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -51.69 -26.38 9.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.106 -0.996 . . . . 0.0 110.329 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.477 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -99.99 -25.16 14.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.578 -0.701 . . . . 0.0 110.298 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.477 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.45 -84.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.864 179.609 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 17.8 tttt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.259 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.293 0.568 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -166.41 61.15 0.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.92 -170.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.4 mp -94.53 -54.22 3.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.332 -0.855 . . . . 0.0 110.118 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -82.28 19.47 1.2 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.799 -0.563 . . . . 0.0 111.127 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.97 104.45 0.37 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.182 -0.949 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.6 pp -54.1 -25.74 23.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.428 0.632 . . . . 0.0 110.099 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -67.65 -30.29 69.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.587 -0.695 . . . . 0.0 109.226 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 1.7 t -93.56 -25.58 17.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.511 -0.743 . . . . 0.0 110.098 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -75.3 -32.94 61.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.42 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -47.11 -29.76 2.42 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.069 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -68.39 -41.84 79.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.388 -0.82 . . . . 0.0 109.597 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.6 OUTLIER -70.51 -39.73 73.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 110.313 179.202 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.604 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.4 -31.22 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 109.727 -179.59 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -80.41 -25.48 39.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.072 -1.018 . . . . 0.0 110.244 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.503 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.58 -59.18 4.31 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.531 -0.731 . . . . 0.0 110.777 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -61.51 87.17 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.545 -0.722 . . . . 0.0 110.353 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.72 81.9 1.53 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.821 ' HA ' ' NE1' ' A' ' 678' ' ' TRP . 1.1 mm -53.92 -38.83 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 O-C-N 121.349 -0.844 . . . . 0.0 109.571 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 97.1 m -54.55 -25.94 29.02 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.326 -0.95 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.53 -49.77 24.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.505 -0.747 . . . . 0.0 109.478 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.821 ' NE1' ' HA ' ' A' ' 675' ' ' ILE . 6.6 p-90 -86.51 -17.47 34.06 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.522 -1.271 . . . . 0.0 111.259 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 675' ' ' ILE . 15.2 mt -70.64 -25.89 63.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.436 -0.79 . . . . 0.0 109.309 177.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -51.55 -23.5 4.21 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.467 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -95.27 -25.66 16.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.539 -0.726 . . . . 0.0 110.333 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.09 -83.99 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.866 -1.146 . . . . 0.0 111.028 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.256 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.15 102.99 0.24 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.388 -0.82 . . . . 0.0 109.329 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 59.0 mt -54.22 -24.02 16.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.656 -0.653 . . . . 0.0 110.112 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.99 -29.13 65.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.521 -0.737 . . . . 0.0 109.053 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 12.5 t -93.39 -25.16 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.576 -0.702 . . . . 0.0 109.921 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.1 m95 -75.29 -32.83 61.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.803 . . . . 0.0 110.295 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -47.09 -29.81 2.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.563 -0.711 . . . . 0.0 110.027 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -68.16 -42.17 80.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 109.542 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -70.03 -39.91 75.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.095 -1.003 . . . . 0.0 110.323 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.588 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.3 -31.29 72.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.686 -1.259 . . . . 0.0 109.796 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -80.43 -25.46 38.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.05 -1.031 . . . . 0.0 110.268 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.52 -59.23 4.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 110.738 -179.195 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.439 -0.788 . . . . 0.0 110.303 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.103 0.477 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.99 104.24 0.35 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.382 -0.824 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 15.1 mt -54.31 -23.47 15.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.751 -0.593 . . . . 0.0 110.278 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.65 -30.58 68.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.475 -0.766 . . . . 0.0 109.186 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 9.3 t -93.5 -23.87 18.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.581 -0.699 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -77.14 -32.14 56.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.8 . . . . 0.0 110.594 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -46.47 -29.54 1.79 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.483 -0.761 . . . . 0.0 110.337 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -40.32 80.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.623 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.75 -39.82 66.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 110.407 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.59 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.09 -31.6 72.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.676 -1.265 . . . . 0.0 109.635 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.56 -25.24 38.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.166 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.526 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.46 -58.85 4.79 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.473 -0.767 . . . . 0.0 110.707 -179.15 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.753 . . . . 0.0 110.225 -179.879 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.072 0.463 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.01 103.37 0.26 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.301 -0.874 . . . . 0.0 109.356 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 15.4 mt -54.28 -23.8 16.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.728 -0.608 . . . . 0.0 110.095 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.25 -29.66 66.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.075 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 4.1 t -93.42 -24.54 18.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.618 -0.676 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -76.51 -32.28 58.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 110.506 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -46.96 -29.55 2.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.537 -0.727 . . . . 0.0 110.416 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.85 80.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.714 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -73.75 -39.48 64.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.291 179.204 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.589 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.04 -31.59 72.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 109.664 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -80.85 -24.67 38.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.536 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.45 -58.75 5.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.592 -0.693 . . . . 0.0 110.749 -179.24 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.478 -0.764 . . . . 0.0 110.207 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.014 0.435 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 665' ' ' SER . . . -61.34 103.26 0.28 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.203 -0.936 . . . . 0.0 109.328 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.96 -26.14 24.23 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.474 0.654 . . . . 0.0 109.933 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.27 -28.42 66.29 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 662' ' ' ALA . 0.5 OUTLIER -93.37 -24.44 18.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.71 . . . . 0.0 109.963 179.49 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 12.9 m95 -75.93 -32.35 59.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.358 -0.838 . . . . 0.0 110.405 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -46.81 -29.47 1.98 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.317 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -40.06 79.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.581 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.81 -39.55 66.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.026 -1.046 . . . . 0.0 110.365 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.59 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.06 -31.68 72.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.64 -1.288 . . . . 0.0 109.554 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.63 -24.88 38.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 110.114 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.52 -58.8 4.93 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.569 -0.707 . . . . 0.0 110.703 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 110.231 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.039 0.447 . . . . 0.0 111.48 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.06 113.56 2.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 21.3 mt -52.77 -22.7 5.62 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.06 -178.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.95 -27.57 68.93 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -33.31 13.89 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 109.586 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.57 ' CD1' ' HA ' ' A' ' 661' ' ' LEU . 23.7 m95 -78.85 -31.05 45.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.704 -0.622 . . . . 0.0 110.686 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.33 -30.93 3.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 0.0 110.224 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -39.16 84.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -75.91 -39.17 56.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.556 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.2 OUTLIER -64.65 -30.86 71.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.649 -1.282 . . . . 0.0 109.838 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.46 -24.29 36.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.101 -1.0 . . . . 0.0 109.718 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.533 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.57 -58.73 5.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.472 -0.767 . . . . 0.0 110.613 -179.201 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.522 -0.736 . . . . 0.0 110.165 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.086 0.47 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.1 102.77 0.23 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.366 -0.834 . . . . 0.0 109.32 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 20.2 mt -54.14 -23.93 16.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.672 -0.642 . . . . 0.0 110.101 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -70.32 -29.53 66.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.393 -0.817 . . . . 0.0 109.109 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -25.13 17.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.55 -0.719 . . . . 0.0 110.014 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -75.39 -32.84 60.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.393 -0.817 . . . . 0.0 110.403 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -47.09 -29.76 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.871 -0.731 . . . . 0.0 110.059 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -68.36 -42.15 79.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.443 -0.786 . . . . 0.0 109.583 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.09 -39.82 75.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.021 -1.049 . . . . 0.0 110.286 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.592 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.649 -1.282 . . . . 0.0 109.767 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -80.31 -25.59 39.26 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 110.28 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.43 -59.22 4.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.512 -0.743 . . . . 0.0 110.752 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.0 0.428 . . . . 0.0 111.13 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.03 104.03 0.33 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 109.317 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.95 -25.86 22.76 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.499 0.666 . . . . 0.0 109.973 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -29.35 67.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.567 -0.708 . . . . 0.0 109.109 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 5.0 m -93.35 -26.48 17.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 0.0 109.916 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -74.17 -32.77 63.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.497 -0.752 . . . . 0.0 110.21 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -32.94 15.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.752 . . . . 0.0 110.003 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 668' ' ' ASN . . . . . 0.449 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 35.0 m-80 -65.45 -26.78 68.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.378 -0.826 . . . . 0.0 109.769 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.65 -37.44 18.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.097 -1.002 . . . . 0.0 110.333 179.073 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.588 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.33 -31.01 72.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.688 -1.258 . . . . 0.0 110.698 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 671' ' ' ASN . . . . . 0.449 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 3.4 p-10 -82.36 -20.97 36.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.214 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.551 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER -51.42 -58.71 5.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.393 -0.817 . . . . 0.0 110.531 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.415 -0.803 . . . . 0.0 110.085 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.044 0.449 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.22 104.45 0.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.86 -25.8 21.58 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.419 0.628 . . . . 0.0 110.13 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 -30.0 69.38 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.606 -0.684 . . . . 0.0 109.188 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 73.8 p -93.42 -23.92 18.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.594 -0.691 . . . . 0.0 109.991 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -76.92 -31.65 56.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.566 -0.709 . . . . 0.0 110.597 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -48.91 -32.73 9.45 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.352 -0.842 . . . . 0.0 110.383 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' ASN . . . . . 0.455 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 0.5 OUTLIER -65.64 -26.91 68.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.296 -0.878 . . . . 0.0 109.931 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.91 -37.6 17.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.999 -1.063 . . . . 0.0 110.551 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.586 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.5 -31.23 72.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.801 -1.187 . . . . 0.0 110.761 -178.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 671' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 2.8 p-10 -81.58 -22.55 37.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.845 -1.16 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.522 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.99 -59.14 4.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.368 -0.832 . . . . 0.0 110.666 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.427 -0.796 . . . . 0.0 110.208 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.061 0.457 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' ALA . . . . . 0.426 ' HB3' ' OG ' ' A' ' 665' ' ' SER . . . -61.23 103.52 0.3 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 23.0 mt -54.07 -24.09 16.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.709 -0.619 . . . . 0.0 110.183 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.38 -28.94 65.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 109.097 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' SER . . . . . 0.426 ' OG ' ' HB3' ' A' ' 662' ' ' ALA . 94.3 p -93.42 -24.69 17.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.596 -0.69 . . . . 0.0 109.98 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.438 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.7 m95 -75.6 -32.78 60.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 110.443 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -47.17 -29.87 2.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.522 -0.736 . . . . 0.0 109.988 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -68.37 -42.56 78.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.545 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -69.36 -39.87 77.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 110.281 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.592 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.775 -1.203 . . . . 0.0 109.625 -179.648 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -80.33 -25.58 39.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.71 -59.18 4.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.544 -0.722 . . . . 0.0 110.714 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.528 -0.732 . . . . 0.0 110.236 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 661' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.06 0.457 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.97 104.45 0.37 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.182 -0.949 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.439 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.6 pp -54.1 -25.74 23.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.428 0.632 . . . . 0.0 110.099 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -67.65 -30.29 69.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.587 -0.695 . . . . 0.0 109.226 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 1.7 t -93.56 -25.58 17.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.511 -0.743 . . . . 0.0 110.098 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' TRP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -75.3 -32.94 61.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.42 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -47.11 -29.76 2.42 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.069 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -68.39 -41.84 79.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.388 -0.82 . . . . 0.0 109.597 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.6 OUTLIER -70.51 -39.73 73.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 110.313 179.202 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 670' ' ' TRP . . . . . 0.593 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.4 -31.22 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 109.727 -179.59 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -80.41 -25.48 39.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.072 -1.018 . . . . 0.0 110.244 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.58 -59.18 4.31 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.531 -0.731 . . . . 0.0 110.777 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.545 -0.722 . . . . 0.0 110.353 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.218 0.532 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -161.34 52.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.358 -0.839 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.0 -174.94 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.291 -0.881 . . . . 0.0 110.124 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.81 ' H ' HD22 ' A' ' 660' ' ' LEU . 0.6 OUTLIER -75.89 -35.17 59.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.401 -0.812 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -88.02 23.07 2.18 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.617 -0.677 . . . . 0.0 110.937 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.15 102.99 0.24 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.388 -0.82 . . . . 0.0 109.329 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 59.0 mt -54.22 -24.02 16.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.656 -0.653 . . . . 0.0 110.112 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.99 -29.13 65.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.521 -0.737 . . . . 0.0 109.053 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 12.5 t -93.39 -25.16 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.576 -0.702 . . . . 0.0 109.921 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.1 m95 -75.29 -32.83 61.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.803 . . . . 0.0 110.295 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -47.09 -29.81 2.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.563 -0.711 . . . . 0.0 110.027 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -68.16 -42.17 80.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 109.542 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -70.03 -39.91 75.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.095 -1.003 . . . . 0.0 110.323 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.588 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.3 -31.29 72.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.686 -1.259 . . . . 0.0 109.796 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -80.43 -25.46 38.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.05 -1.031 . . . . 0.0 110.268 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.52 -59.23 4.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 110.738 -179.195 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -63.48 96.13 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.439 -0.788 . . . . 0.0 110.303 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -99.36 48.53 0.95 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.409 -0.807 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.043 HG22 ' CZ2' ' A' ' 678' ' ' TRP . 1.1 pp -52.73 -40.3 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.459 -0.775 . . . . 0.0 111.048 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.417 ' H ' HG13 ' A' ' 675' ' ' ILE . 7.8 t -56.01 -24.9 41.86 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.15 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.407 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.8 t-20 -75.99 -50.63 14.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.593 -0.692 . . . . 0.0 109.909 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.043 ' CZ2' HG22 ' A' ' 675' ' ' ILE . 16.6 p-90 -84.59 -17.12 39.76 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.565 -1.254 . . . . 0.0 111.305 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.761 HD12 HD12 ' A' ' 675' ' ' ILE . 28.8 mt -71.52 -21.55 61.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -0.752 . . . . 0.0 110.23 178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.3 p-90 -49.58 -22.16 1.2 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.945 -1.097 . . . . 0.0 111.788 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 681' ' ' TYR . 0.1 OUTLIER -100.54 -4.55 28.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.213 -0.929 . . . . 0.0 112.759 -178.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.604 HG21 HD23 ' A' ' 679' ' ' LEU . 2.3 pp -77.72 -25.3 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.523 -1.36 . . . . 0.0 111.044 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 11.6 mttp . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.202 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.179 0.514 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt 52.08 -170.83 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.352 -0.843 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 161.81 10.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.376 -0.828 . . . . 0.0 110.259 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 660' ' ' LEU . 5.4 mp -82.46 -21.65 35.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.252 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.68 22.75 2.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.711 . . . . 0.0 110.936 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.99 104.24 0.35 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.382 -0.824 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 15.1 mt -54.31 -23.47 15.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.751 -0.593 . . . . 0.0 110.278 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.65 -30.58 68.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.475 -0.766 . . . . 0.0 109.186 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 9.3 t -93.5 -23.87 18.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.581 -0.699 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -77.14 -32.14 56.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.8 . . . . 0.0 110.594 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -46.47 -29.54 1.79 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.483 -0.761 . . . . 0.0 110.337 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -40.32 80.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.623 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.75 -39.82 66.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 110.407 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.59 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.09 -31.6 72.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.676 -1.265 . . . . 0.0 109.635 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.56 -25.24 38.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.166 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.526 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.46 -58.85 4.79 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.473 -0.767 . . . . 0.0 110.707 -179.15 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.09 69.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.753 . . . . 0.0 110.225 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 677' ' ' ASN . 0.2 OUTLIER -97.23 89.93 4.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.379 -0.825 . . . . 0.0 110.145 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.973 HG23 ' CZ2' ' A' ' 678' ' ' TRP . 1.8 mt -59.97 -35.46 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.34 -0.85 . . . . 0.0 109.66 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 99.3 m -55.11 -27.4 44.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.704 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 674' ' ' ASN . 0.9 OUTLIER -76.87 -47.88 19.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 109.948 179.665 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.973 ' CZ2' HG23 ' A' ' 675' ' ' ILE . 1.5 p-90 -84.23 -17.31 40.23 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.135 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.901 ' HG ' HG22 ' A' ' 675' ' ' ILE . 19.5 mt -70.13 -22.45 63.0 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.494 -0.754 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.416 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.0 p-90 -49.63 -21.38 1.0 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.974 -1.079 . . . . 0.0 111.855 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 681' ' ' TYR . 0.1 OUTLIER -100.18 -4.46 29.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.215 -0.928 . . . . 0.0 112.713 -178.364 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.638 HG21 HD23 ' A' ' 679' ' ' LEU . 2.4 pp -77.65 -25.15 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.574 -1.329 . . . . 0.0 110.964 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.8 pttp . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.278 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.219 0.533 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -150.64 42.67 0.81 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 177.93 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.342 -0.849 . . . . 0.0 110.203 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 660' ' ' LEU . 4.9 mp -87.91 -26.06 22.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.342 -0.849 . . . . 0.0 110.2 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.84 22.97 2.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.584 -0.697 . . . . 0.0 110.914 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.01 103.37 0.26 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.301 -0.874 . . . . 0.0 109.356 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 15.4 mt -54.28 -23.8 16.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.728 -0.608 . . . . 0.0 110.095 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.25 -29.66 66.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.075 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 4.1 t -93.42 -24.54 18.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.618 -0.676 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -76.51 -32.28 58.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 110.506 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -46.96 -29.55 2.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.537 -0.727 . . . . 0.0 110.416 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.85 80.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.714 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -73.75 -39.48 64.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.291 179.204 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.589 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.04 -31.59 72.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 109.664 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -80.85 -24.67 38.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.536 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.45 -58.75 5.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.592 -0.693 . . . . 0.0 110.749 -179.24 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.32 61.85 2.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.478 -0.764 . . . . 0.0 110.207 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.58 92.75 6.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.257 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 71.2 mt -62.98 -34.23 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.291 -0.881 . . . . 0.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.4 t -50.78 -26.18 5.33 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.304 -0.873 . . . . 0.0 110.5 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -83.9 -21.7 31.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 109.214 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -80.63 -25.57 38.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 675' ' ' ILE . 12.7 mt -78.18 -18.28 55.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.548 -0.72 . . . . 0.0 111.805 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -46.6 -28.05 1.33 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 110.849 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -90.85 -26.98 19.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.571 -0.706 . . . . 0.0 110.842 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.452 HG13 ' HA ' ' A' ' 679' ' ' LEU . 0.9 OUTLIER -123.13 -82.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 118.94 -1.104 . . . . 0.0 111.808 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.348 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.138 0.494 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -151.71 68.64 0.9 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.435 -0.791 . . . . 0.0 110.24 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -175.08 0.06 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.42 -32.94 28.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -85.16 19.48 2.2 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.644 -0.66 . . . . 0.0 111.094 -179.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 665' ' ' SER . . . -61.34 103.26 0.28 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.203 -0.936 . . . . 0.0 109.328 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.96 -26.14 24.23 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.474 0.654 . . . . 0.0 109.933 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.27 -28.42 66.29 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 662' ' ' ALA . 0.5 OUTLIER -93.37 -24.44 18.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.71 . . . . 0.0 109.963 179.49 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 12.9 m95 -75.93 -32.35 59.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.358 -0.838 . . . . 0.0 110.405 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -46.81 -29.47 1.98 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.317 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -40.06 79.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.581 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.81 -39.55 66.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.026 -1.046 . . . . 0.0 110.365 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.59 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.06 -31.68 72.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.64 -1.288 . . . . 0.0 109.554 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.63 -24.88 38.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 110.114 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.52 -58.8 4.93 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.569 -0.707 . . . . 0.0 110.703 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.06 72.01 4.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.97 96.84 10.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.187 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.009 HG22 ' CZ2' ' A' ' 678' ' ' TRP . 1.0 OUTLIER -52.47 -37.9 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.823 . . . . 0.0 110.803 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.449 ' H ' HG13 ' A' ' 675' ' ' ILE . 6.9 t -56.95 -24.31 51.95 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.859 -1.137 . . . . 0.0 108.848 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.447 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -74.86 -50.92 15.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.792 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.009 ' CZ2' HG22 ' A' ' 675' ' ' ILE . 19.7 p-90 -84.75 -17.47 38.2 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.49 -1.284 . . . . 0.0 111.269 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 675' ' ' ILE . 30.0 mt -71.85 -24.0 61.62 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.395 -0.815 . . . . 0.0 109.836 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.447 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.6 p-90 -50.35 -24.53 3.05 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 111.077 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.481 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -96.18 -23.72 16.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.47 -0.769 . . . . 0.0 110.681 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.7 OUTLIER -122.89 -84.16 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.867 -1.145 . . . . 0.0 110.897 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.47 ' CB ' HD22 ' A' ' 679' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.033 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.168 0.509 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.44 159.29 35.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.395 -0.816 . . . . 0.0 110.24 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.13 -158.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.405 -0.809 . . . . 0.0 110.195 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 660' ' ' LEU . 3.0 mp -91.4 -39.65 11.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.377 -0.827 . . . . 0.0 110.112 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.4 OUTLIER -89.55 21.8 3.27 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.697 -0.627 . . . . 0.0 111.48 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.06 113.56 2.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 21.3 mt -52.77 -22.7 5.62 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.06 -178.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.95 -27.57 68.93 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -33.31 13.89 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 109.586 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.57 ' CD1' ' HA ' ' A' ' 661' ' ' LEU . 23.7 m95 -78.85 -31.05 45.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.704 -0.622 . . . . 0.0 110.686 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.33 -30.93 3.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 0.0 110.224 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -39.16 84.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -75.91 -39.17 56.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.556 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.2 OUTLIER -64.65 -30.86 71.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.649 -1.282 . . . . 0.0 109.838 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.46 -24.29 36.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.101 -1.0 . . . . 0.0 109.718 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.533 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.57 -58.73 5.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.472 -0.767 . . . . 0.0 110.613 -179.201 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -72.94 80.56 1.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.522 -0.736 . . . . 0.0 110.165 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -87.48 60.9 6.29 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.4 -0.813 . . . . 0.0 110.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 74.3 mt -63.29 -35.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.277 -0.889 . . . . 0.0 110.324 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.5 m -50.7 -27.15 6.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.243 -0.911 . . . . 0.0 110.477 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -82.94 -24.33 33.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 109.187 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -22.55 57.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.684 -0.635 . . . . 0.0 111.002 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.606 ' HA ' HD11 ' A' ' 682' ' ' ILE . 11.2 mt -77.39 -17.81 57.86 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.634 -0.666 . . . . 0.0 111.75 -177.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -45.53 -28.05 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.07 -1.019 . . . . 0.0 110.757 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -78.49 -34.78 47.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 111.535 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 679' ' ' LEU . 1.8 pp -120.42 4.07 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 112.269 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.531 ' N ' HD12 ' A' ' 682' ' ' ILE . 78.6 tttt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.234 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.191 0.519 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -155.77 91.2 1.28 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.88 172.63 1.27 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.367 -0.833 . . . . 0.0 110.151 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 47.6 mt -83.91 -29.94 26.75 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.77 23.09 2.09 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.652 -0.655 . . . . 0.0 110.934 -179.59 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.1 102.77 0.23 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.366 -0.834 . . . . 0.0 109.32 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 20.2 mt -54.14 -23.93 16.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.672 -0.642 . . . . 0.0 110.101 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -70.32 -29.53 66.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.393 -0.817 . . . . 0.0 109.109 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -25.13 17.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.55 -0.719 . . . . 0.0 110.014 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -75.39 -32.84 60.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.393 -0.817 . . . . 0.0 110.403 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -47.09 -29.76 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.871 -0.731 . . . . 0.0 110.059 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -68.36 -42.15 79.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.443 -0.786 . . . . 0.0 109.583 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.09 -39.82 75.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.021 -1.049 . . . . 0.0 110.286 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.592 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.649 -1.282 . . . . 0.0 109.767 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -80.31 -25.59 39.26 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 110.28 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.43 -59.22 4.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.512 -0.743 . . . . 0.0 110.752 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -61.32 90.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -96.66 57.63 1.61 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.177 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.762 ' HA ' ' CD1' ' A' ' 678' ' ' TRP . 11.1 mt -50.86 -19.76 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.291 -0.881 . . . . 0.0 110.667 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 18.3 m -83.15 -25.49 31.83 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.541 -1.35 . . . . 0.0 109.675 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.7 -52.81 7.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.497 -0.752 . . . . 0.0 111.177 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.762 ' CD1' ' HA ' ' A' ' 675' ' ' ILE . 2.1 p-90 -64.8 -18.11 64.81 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.005 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 675' ' ' ILE . 9.0 mt -70.21 -19.95 63.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.645 -0.66 . . . . 0.0 110.789 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 681' ' ' TYR . 8.5 p-90 -45.26 -32.68 2.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.89 . . . . 0.0 111.636 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.948 ' CE1' HG23 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -71.71 -26.02 62.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.358 -0.839 . . . . 0.0 111.011 -179.117 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.948 HG23 ' CE1' ' A' ' 681' ' ' TYR . 0.5 OUTLIER -115.41 -83.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.491 -1.381 . . . . 0.0 110.559 178.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.163 0.506 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -167.9 139.72 3.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.387 -0.821 . . . . 0.0 110.324 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.14 -158.13 0.23 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.412 -0.805 . . . . 0.0 110.066 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.95 -49.09 8.12 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 110.027 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.2 OUTLIER -82.79 19.03 1.41 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.828 -0.545 . . . . 0.0 111.13 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.03 104.03 0.33 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 109.317 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.95 -25.86 22.76 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.499 0.666 . . . . 0.0 109.973 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -29.35 67.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.567 -0.708 . . . . 0.0 109.109 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 5.0 m -93.35 -26.48 17.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 0.0 109.916 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -74.17 -32.77 63.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.497 -0.752 . . . . 0.0 110.21 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -32.94 15.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.752 . . . . 0.0 110.003 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ASN . . . . . 0.449 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 35.0 m-80 -65.45 -26.78 68.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.378 -0.826 . . . . 0.0 109.769 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.65 -37.44 18.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.097 -1.002 . . . . 0.0 110.333 179.073 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.588 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.33 -31.01 72.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.688 -1.258 . . . . 0.0 110.698 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.449 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 3.4 p-10 -82.36 -20.97 36.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.214 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.551 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER -51.42 -58.71 5.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.393 -0.817 . . . . 0.0 110.531 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -73.79 145.15 45.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.415 -0.803 . . . . 0.0 110.085 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.18 44.77 1.15 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.485 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 32.8 mm -68.8 -30.13 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.7 m -52.21 -26.77 12.5 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.324 -0.86 . . . . 0.0 110.35 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.4 m-80 -83.51 -17.05 43.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.278 -0.889 . . . . 0.0 109.262 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -88.33 -28.32 21.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.742 -0.599 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.528 HD22 ' CB ' ' A' ' 683' ' ' LYS . 12.8 mt -76.87 -20.32 56.42 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.517 -0.74 . . . . 0.0 111.64 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.4 p-90 -51.32 -25.95 6.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.98 . . . . 0.0 110.447 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.48 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -100.28 -25.22 14.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.523 -0.736 . . . . 0.0 110.315 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.45 -84.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 118.856 -1.137 . . . . 0.0 110.89 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.528 ' CB ' HD22 ' A' ' 679' ' ' LEU . 2.3 ttmt . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.215 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.244 0.545 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt 52.39 -162.92 0.08 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.292 -0.88 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.92 178.81 0.1 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.36 -0.837 . . . . 0.0 110.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.05 -24.79 19.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -86.39 21.23 2.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.549 -0.719 . . . . 0.0 110.976 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.22 104.45 0.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.86 -25.8 21.58 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.419 0.628 . . . . 0.0 110.13 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 -30.0 69.38 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.606 -0.684 . . . . 0.0 109.188 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 73.8 p -93.42 -23.92 18.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.594 -0.691 . . . . 0.0 109.991 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -76.92 -31.65 56.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.566 -0.709 . . . . 0.0 110.597 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -48.91 -32.73 9.45 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.352 -0.842 . . . . 0.0 110.383 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ASN . . . . . 0.455 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 0.5 OUTLIER -65.64 -26.91 68.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.296 -0.878 . . . . 0.0 109.931 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.91 -37.6 17.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.999 -1.063 . . . . 0.0 110.551 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.586 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.5 -31.23 72.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.801 -1.187 . . . . 0.0 110.761 -178.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 2.8 p-10 -81.58 -22.55 37.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.845 -1.16 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.522 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.99 -59.14 4.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.368 -0.832 . . . . 0.0 110.666 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -61.28 96.14 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.427 -0.796 . . . . 0.0 110.208 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -82.29 59.58 4.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.387 -0.821 . . . . 0.0 110.101 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 1.1 pp -68.86 -30.5 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.406 -0.809 . . . . 0.0 110.804 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.6 m -51.86 -26.0 9.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.084 -1.01 . . . . 0.0 110.384 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.425 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.9 OUTLIER -85.09 -18.37 34.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.354 -0.841 . . . . 0.0 109.393 178.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -85.42 -24.85 27.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.637 -0.664 . . . . 0.0 111.367 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.6 ' O ' HG13 ' A' ' 682' ' ' ILE . 14.8 mt -79.84 -17.51 53.07 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.379 -0.825 . . . . 0.0 112.2 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 3.1 p-90 -48.87 -24.62 1.52 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.788 -1.195 . . . . 0.0 111.327 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.476 ' CE1' HG22 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -101.09 -4.91 26.48 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.385 -0.822 . . . . 0.0 112.615 -178.703 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.6 HG13 ' O ' ' A' ' 679' ' ' LEU . 2.3 pp -78.18 -26.21 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.549 -1.345 . . . . 0.0 110.918 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.262 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.174 0.512 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 29.4 mttt 52.38 -174.09 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -178.91 0.1 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.37 -31.46 42.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.38 -0.825 . . . . 0.0 110.149 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -86.59 20.97 2.29 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.66 -0.65 . . . . 0.0 111.036 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.426 ' HB3' ' OG ' ' A' ' 665' ' ' SER . . . -61.23 103.52 0.3 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 23.0 mt -54.07 -24.09 16.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.709 -0.619 . . . . 0.0 110.183 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.38 -28.94 65.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 109.097 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' SER . . . . . 0.426 ' OG ' ' HB3' ' A' ' 662' ' ' ALA . 94.3 p -93.42 -24.69 17.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.596 -0.69 . . . . 0.0 109.98 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.438 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.7 m95 -75.6 -32.78 60.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 110.443 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -47.17 -29.87 2.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.522 -0.736 . . . . 0.0 109.988 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -68.37 -42.56 78.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.545 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -69.36 -39.87 77.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 110.281 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.592 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.775 -1.203 . . . . 0.0 109.625 -179.648 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -80.33 -25.58 39.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.71 -59.18 4.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.544 -0.722 . . . . 0.0 110.714 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.5 131.69 50.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.528 -0.732 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.28 46.64 0.97 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.27 -0.894 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 66.5 mt -65.23 -33.09 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.335 -0.853 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.9 t -50.74 -26.44 5.58 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.218 -0.926 . . . . 0.0 110.437 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -83.25 -21.4 33.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.352 -0.843 . . . . 0.0 109.194 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 675' ' ' ILE . 1.4 m95 -82.6 -27.87 31.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.706 -0.621 . . . . 0.0 111.005 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 683' ' ' LYS . 12.5 mt -76.84 -20.4 56.38 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.64 -0.663 . . . . 0.0 111.509 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -51.69 -26.38 9.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.106 -0.996 . . . . 0.0 110.329 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.481 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -99.99 -25.16 14.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.578 -0.701 . . . . 0.0 110.298 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.45 -84.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.864 179.609 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.517 ' CB ' HD22 ' A' ' 679' ' ' LEU . 17.8 tttt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.259 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.293 0.568 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -166.41 61.15 0.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.92 -170.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.4 mp -94.53 -54.22 3.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.332 -0.855 . . . . 0.0 110.118 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -82.28 19.47 1.2 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.799 -0.563 . . . . 0.0 111.127 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.97 104.45 0.37 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.182 -0.949 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.439 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.6 pp -54.1 -25.74 23.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.428 0.632 . . . . 0.0 110.099 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -67.65 -30.29 69.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.587 -0.695 . . . . 0.0 109.226 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 1.7 t -93.56 -25.58 17.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.511 -0.743 . . . . 0.0 110.098 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -75.3 -32.94 61.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.42 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -47.11 -29.76 2.42 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.069 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -68.39 -41.84 79.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.388 -0.82 . . . . 0.0 109.597 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.6 OUTLIER -70.51 -39.73 73.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 110.313 179.202 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.593 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.4 -31.22 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 109.727 -179.59 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -80.41 -25.48 39.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.072 -1.018 . . . . 0.0 110.244 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.58 -59.18 4.31 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.531 -0.731 . . . . 0.0 110.777 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -61.51 87.17 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.545 -0.722 . . . . 0.0 110.353 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.72 81.9 1.53 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.055 HG23 ' CZ2' ' A' ' 678' ' ' TRP . 1.1 mm -53.92 -38.83 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 O-C-N 121.349 -0.844 . . . . 0.0 109.571 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 97.1 m -54.55 -25.94 29.02 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.326 -0.95 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.53 -49.77 24.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.505 -0.747 . . . . 0.0 109.478 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.055 ' CZ2' HG23 ' A' ' 675' ' ' ILE . 6.6 p-90 -86.51 -17.47 34.06 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.522 -1.271 . . . . 0.0 111.259 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.878 ' HG ' HG22 ' A' ' 675' ' ' ILE . 15.2 mt -70.64 -25.89 63.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.436 -0.79 . . . . 0.0 109.309 177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -51.55 -23.5 4.21 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.471 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -95.27 -25.66 16.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.539 -0.726 . . . . 0.0 110.333 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.471 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.09 -83.99 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.866 -1.146 . . . . 0.0 111.028 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.549 ' CB ' HD22 ' A' ' 679' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.256 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.093 0.473 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.15 102.99 0.24 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.388 -0.82 . . . . 0.0 109.329 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 59.0 mt -54.22 -24.02 16.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.656 -0.653 . . . . 0.0 110.112 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.99 -29.13 65.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.521 -0.737 . . . . 0.0 109.053 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 12.5 t -93.39 -25.16 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.576 -0.702 . . . . 0.0 109.921 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.1 m95 -75.29 -32.83 61.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.803 . . . . 0.0 110.295 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -47.09 -29.81 2.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.563 -0.711 . . . . 0.0 110.027 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -68.16 -42.17 80.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 109.542 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -70.03 -39.91 75.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.095 -1.003 . . . . 0.0 110.323 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.588 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.3 -31.29 72.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.686 -1.259 . . . . 0.0 109.796 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -80.43 -25.46 38.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.05 -1.031 . . . . 0.0 110.268 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.52 -59.23 4.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 110.738 -179.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.439 -0.788 . . . . 0.0 110.303 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.103 0.477 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.99 104.24 0.35 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.382 -0.824 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 15.1 mt -54.31 -23.47 15.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.751 -0.593 . . . . 0.0 110.278 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.65 -30.58 68.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.475 -0.766 . . . . 0.0 109.186 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 9.3 t -93.5 -23.87 18.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.581 -0.699 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -77.14 -32.14 56.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.8 . . . . 0.0 110.594 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -46.47 -29.54 1.79 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.483 -0.761 . . . . 0.0 110.337 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -40.32 80.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.623 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.75 -39.82 66.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 110.407 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.59 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.09 -31.6 72.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.676 -1.265 . . . . 0.0 109.635 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.56 -25.24 38.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.166 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.526 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.46 -58.85 4.79 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.473 -0.767 . . . . 0.0 110.707 -179.15 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.753 . . . . 0.0 110.225 -179.879 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.072 0.463 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.01 103.37 0.26 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.301 -0.874 . . . . 0.0 109.356 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 15.4 mt -54.28 -23.8 16.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.728 -0.608 . . . . 0.0 110.095 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.25 -29.66 66.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.075 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 4.1 t -93.42 -24.54 18.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.618 -0.676 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -76.51 -32.28 58.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 110.506 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -46.96 -29.55 2.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.537 -0.727 . . . . 0.0 110.416 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.85 80.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.714 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -73.75 -39.48 64.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.291 179.204 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.589 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.04 -31.59 72.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 109.664 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -80.85 -24.67 38.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.536 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.45 -58.75 5.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.592 -0.693 . . . . 0.0 110.749 -179.24 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.478 -0.764 . . . . 0.0 110.207 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.014 0.435 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 665' ' ' SER . . . -61.34 103.26 0.28 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.203 -0.936 . . . . 0.0 109.328 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.96 -26.14 24.23 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.474 0.654 . . . . 0.0 109.933 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.27 -28.42 66.29 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 662' ' ' ALA . 0.5 OUTLIER -93.37 -24.44 18.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.71 . . . . 0.0 109.963 179.49 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 12.9 m95 -75.93 -32.35 59.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.358 -0.838 . . . . 0.0 110.405 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -46.81 -29.47 1.98 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.317 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -40.06 79.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.581 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.81 -39.55 66.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.026 -1.046 . . . . 0.0 110.365 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.59 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.06 -31.68 72.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.64 -1.288 . . . . 0.0 109.554 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.63 -24.88 38.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 110.114 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.52 -58.8 4.93 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.569 -0.707 . . . . 0.0 110.703 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 110.231 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.039 0.447 . . . . 0.0 111.48 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.06 113.56 2.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 21.3 mt -52.77 -22.7 5.62 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.06 -178.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.95 -27.57 68.93 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -33.31 13.89 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 109.586 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.57 ' CD1' ' HA ' ' A' ' 661' ' ' LEU . 23.7 m95 -78.85 -31.05 45.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.704 -0.622 . . . . 0.0 110.686 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.33 -30.93 3.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 0.0 110.224 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -39.16 84.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -75.91 -39.17 56.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.556 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.2 OUTLIER -64.65 -30.86 71.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.649 -1.282 . . . . 0.0 109.838 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -24.29 36.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.101 -1.0 . . . . 0.0 109.718 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.533 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.57 -58.73 5.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.472 -0.767 . . . . 0.0 110.613 -179.201 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.522 -0.736 . . . . 0.0 110.165 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.086 0.47 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.1 102.77 0.23 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.366 -0.834 . . . . 0.0 109.32 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 20.2 mt -54.14 -23.93 16.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.672 -0.642 . . . . 0.0 110.101 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -70.32 -29.53 66.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.393 -0.817 . . . . 0.0 109.109 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -25.13 17.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.55 -0.719 . . . . 0.0 110.014 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -75.39 -32.84 60.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.393 -0.817 . . . . 0.0 110.403 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -47.09 -29.76 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.871 -0.731 . . . . 0.0 110.059 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -68.36 -42.15 79.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.443 -0.786 . . . . 0.0 109.583 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.09 -39.82 75.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.021 -1.049 . . . . 0.0 110.286 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.592 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.649 -1.282 . . . . 0.0 109.767 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -80.31 -25.59 39.26 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 110.28 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.43 -59.22 4.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.512 -0.743 . . . . 0.0 110.752 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.0 0.428 . . . . 0.0 111.13 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.03 104.03 0.33 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 109.317 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.95 -25.86 22.76 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.499 0.666 . . . . 0.0 109.973 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -29.35 67.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.567 -0.708 . . . . 0.0 109.109 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 5.0 m -93.35 -26.48 17.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 0.0 109.916 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -74.17 -32.77 63.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.497 -0.752 . . . . 0.0 110.21 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -32.94 15.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.752 . . . . 0.0 110.003 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . 0.449 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 35.0 m-80 -65.45 -26.78 68.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.378 -0.826 . . . . 0.0 109.769 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.65 -37.44 18.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.097 -1.002 . . . . 0.0 110.333 179.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.588 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.33 -31.01 72.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.688 -1.258 . . . . 0.0 110.698 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . 0.449 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 3.4 p-10 -82.36 -20.97 36.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.214 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.551 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER -51.42 -58.71 5.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.393 -0.817 . . . . 0.0 110.531 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.415 -0.803 . . . . 0.0 110.085 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.044 0.449 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.22 104.45 0.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.86 -25.8 21.58 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.419 0.628 . . . . 0.0 110.13 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 -30.0 69.38 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.606 -0.684 . . . . 0.0 109.188 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . 0.4 ' O ' ' ND2' ' A' ' 668' ' ' ASN . 73.8 p -93.42 -23.92 18.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.594 -0.691 . . . . 0.0 109.991 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -76.92 -31.65 56.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.566 -0.709 . . . . 0.0 110.597 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -48.91 -32.73 9.45 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.352 -0.842 . . . . 0.0 110.383 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . 0.455 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 0.0 OUTLIER -65.64 -26.91 68.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.296 -0.878 . . . . 0.0 109.931 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.91 -37.6 17.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.999 -1.063 . . . . 0.0 110.551 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.586 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.5 -31.23 72.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.801 -1.187 . . . . 0.0 110.761 -178.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 2.8 p-10 -81.58 -22.55 37.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.845 -1.16 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.522 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.99 -59.14 4.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.368 -0.832 . . . . 0.0 110.666 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.427 -0.796 . . . . 0.0 110.208 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.061 0.457 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . 0.426 ' HB3' ' OG ' ' A' ' 665' ' ' SER . . . -61.23 103.52 0.3 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 23.0 mt -54.07 -24.09 16.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.709 -0.619 . . . . 0.0 110.183 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.38 -28.94 65.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 109.097 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . 0.426 ' OG ' ' HB3' ' A' ' 662' ' ' ALA . 94.3 p -93.42 -24.69 17.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.596 -0.69 . . . . 0.0 109.98 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.438 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.7 m95 -75.6 -32.78 60.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 110.443 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -47.17 -29.87 2.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.522 -0.736 . . . . 0.0 109.988 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -68.37 -42.56 78.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.545 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -69.36 -39.87 77.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 110.281 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.592 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.775 -1.203 . . . . 0.0 109.625 -179.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -80.33 -25.58 39.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.71 -59.18 4.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.544 -0.722 . . . . 0.0 110.714 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.528 -0.732 . . . . 0.0 110.236 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.06 0.457 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.97 104.45 0.37 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.182 -0.949 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.439 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.6 pp -54.1 -25.74 23.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.428 0.632 . . . . 0.0 110.099 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -67.65 -30.29 69.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.587 -0.695 . . . . 0.0 109.226 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 1.7 t -93.56 -25.58 17.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.511 -0.743 . . . . 0.0 110.098 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' TRP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -75.3 -32.94 61.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.42 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -47.11 -29.76 2.42 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.069 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -68.39 -41.84 79.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.388 -0.82 . . . . 0.0 109.597 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.6 OUTLIER -70.51 -39.73 73.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 110.313 179.202 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' TRP . . . . . 0.593 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.4 -31.22 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 109.727 -179.59 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -80.41 -25.48 39.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.072 -1.018 . . . . 0.0 110.244 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.58 -59.18 4.31 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.531 -0.731 . . . . 0.0 110.777 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.545 -0.722 . . . . 0.0 110.353 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.218 0.532 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -161.34 52.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.358 -0.839 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.0 -174.94 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.291 -0.881 . . . . 0.0 110.124 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.81 ' H ' HD22 ' A' ' 660' ' ' LEU . 0.6 OUTLIER -75.89 -35.17 59.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.401 -0.812 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -88.02 23.07 2.18 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.617 -0.677 . . . . 0.0 110.937 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.15 102.99 0.24 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.388 -0.82 . . . . 0.0 109.329 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 59.0 mt -54.22 -24.02 16.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.656 -0.653 . . . . 0.0 110.112 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.99 -29.13 65.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.521 -0.737 . . . . 0.0 109.053 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 12.5 t -93.39 -25.16 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.576 -0.702 . . . . 0.0 109.921 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.1 m95 -75.29 -32.83 61.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.416 -0.803 . . . . 0.0 110.295 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -47.09 -29.81 2.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.563 -0.711 . . . . 0.0 110.027 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -68.16 -42.17 80.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 109.542 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -70.03 -39.91 75.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.095 -1.003 . . . . 0.0 110.323 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.588 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.3 -31.29 72.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.686 -1.259 . . . . 0.0 109.796 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -80.43 -25.46 38.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.05 -1.031 . . . . 0.0 110.268 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.52 -59.23 4.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 110.738 -179.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -63.48 96.13 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.439 -0.788 . . . . 0.0 110.303 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -99.36 48.53 0.95 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.409 -0.807 . . . . 0.0 110.135 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.043 HG22 ' CZ2' ' A' ' 678' ' ' TRP . 1.1 pp -52.73 -40.3 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.459 -0.775 . . . . 0.0 111.048 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.417 ' H ' HG13 ' A' ' 675' ' ' ILE . 7.8 t -56.01 -24.9 41.86 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.15 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.407 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.8 t-20 -75.99 -50.63 14.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.593 -0.692 . . . . 0.0 109.909 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.043 ' CZ2' HG22 ' A' ' 675' ' ' ILE . 16.6 p-90 -84.59 -17.12 39.76 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 118.565 -1.254 . . . . 0.0 111.305 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.761 HD12 HD12 ' A' ' 675' ' ' ILE . 28.8 mt -71.52 -21.55 61.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -0.752 . . . . 0.0 110.23 178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.3 p-90 -49.58 -22.16 1.2 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.945 -1.097 . . . . 0.0 111.788 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 681' ' ' TYR . 0.1 OUTLIER -100.54 -4.55 28.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.213 -0.929 . . . . 0.0 112.759 -178.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.604 HG21 HD23 ' A' ' 679' ' ' LEU . 2.3 pp -77.72 -25.3 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.523 -1.36 . . . . 0.0 111.044 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 11.6 mttp . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.202 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.179 0.514 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt 52.08 -170.83 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.352 -0.843 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 161.81 10.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.376 -0.828 . . . . 0.0 110.259 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 660' ' ' LEU . 5.4 mp -82.46 -21.65 35.54 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.315 -0.865 . . . . 0.0 110.252 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.68 22.75 2.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.711 . . . . 0.0 110.936 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.99 104.24 0.35 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.382 -0.824 . . . . 0.0 109.35 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 15.1 mt -54.31 -23.47 15.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.751 -0.593 . . . . 0.0 110.278 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.65 -30.58 68.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.475 -0.766 . . . . 0.0 109.186 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 9.3 t -93.5 -23.87 18.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.581 -0.699 . . . . 0.0 110.112 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -77.14 -32.14 56.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.421 -0.8 . . . . 0.0 110.594 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -46.47 -29.54 1.79 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.483 -0.761 . . . . 0.0 110.337 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -40.32 80.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.623 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.75 -39.82 66.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 110.407 179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.59 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.09 -31.6 72.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.676 -1.265 . . . . 0.0 109.635 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.56 -25.24 38.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 0.0 110.166 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.526 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.46 -58.85 4.79 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.473 -0.767 . . . . 0.0 110.707 -179.15 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.09 69.53 0.5 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.753 . . . . 0.0 110.225 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 677' ' ' ASN . 0.2 OUTLIER -97.23 89.93 4.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.379 -0.825 . . . . 0.0 110.145 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.973 HG23 ' CZ2' ' A' ' 678' ' ' TRP . 1.8 mt -59.97 -35.46 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.34 -0.85 . . . . 0.0 109.66 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 99.3 m -55.11 -27.4 44.96 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.302 -0.874 . . . . 0.0 109.704 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 674' ' ' ASN . 0.9 OUTLIER -76.87 -47.88 19.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.368 -0.833 . . . . 0.0 109.948 179.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.973 ' CZ2' HG23 ' A' ' 675' ' ' ILE . 1.5 p-90 -84.23 -17.31 40.23 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.135 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.901 ' HG ' HG22 ' A' ' 675' ' ' ILE . 19.5 mt -70.13 -22.45 63.0 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.494 -0.754 . . . . 0.0 109.892 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.416 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.0 p-90 -49.63 -21.38 1.0 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.974 -1.079 . . . . 0.0 111.855 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 681' ' ' TYR . 0.1 OUTLIER -100.18 -4.46 29.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.215 -0.928 . . . . 0.0 112.713 -178.364 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.638 HG21 HD23 ' A' ' 679' ' ' LEU . 2.4 pp -77.65 -25.15 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.574 -1.329 . . . . 0.0 110.964 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.8 pttp . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.278 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.219 0.533 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -150.64 42.67 0.81 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.88 177.93 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.342 -0.849 . . . . 0.0 110.203 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 660' ' ' LEU . 4.9 mp -87.91 -26.06 22.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.342 -0.849 . . . . 0.0 110.2 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.84 22.97 2.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.584 -0.697 . . . . 0.0 110.914 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.01 103.37 0.26 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.301 -0.874 . . . . 0.0 109.356 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 15.4 mt -54.28 -23.8 16.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.728 -0.608 . . . . 0.0 110.095 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.25 -29.66 66.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.075 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 4.1 t -93.42 -24.54 18.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.618 -0.676 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -76.51 -32.28 58.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.421 -0.799 . . . . 0.0 110.506 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -46.96 -29.55 2.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.537 -0.727 . . . . 0.0 110.416 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.85 80.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.714 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -73.75 -39.48 64.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.017 -1.052 . . . . 0.0 110.291 179.204 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.589 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.04 -31.59 72.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 109.664 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -80.85 -24.67 38.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.126 -0.983 . . . . 0.0 110.08 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.536 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.45 -58.75 5.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.592 -0.693 . . . . 0.0 110.749 -179.24 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -77.32 61.85 2.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.478 -0.764 . . . . 0.0 110.207 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.58 92.75 6.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.396 -0.815 . . . . 0.0 110.257 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 71.2 mt -62.98 -34.23 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.291 -0.881 . . . . 0.0 110.1 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.4 t -50.78 -26.18 5.33 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.304 -0.873 . . . . 0.0 110.5 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -83.9 -21.7 31.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 109.214 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -80.63 -25.57 38.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.619 -0.676 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 675' ' ' ILE . 12.7 mt -78.18 -18.28 55.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.548 -0.72 . . . . 0.0 111.805 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -46.6 -28.05 1.33 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 110.849 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -90.85 -26.98 19.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.571 -0.706 . . . . 0.0 110.842 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.452 HG13 ' HA ' ' A' ' 679' ' ' LEU . 0.9 OUTLIER -123.13 -82.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 118.94 -1.104 . . . . 0.0 111.808 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.348 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.138 0.494 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -151.71 68.64 0.9 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.435 -0.791 . . . . 0.0 110.24 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -175.08 0.06 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -0.854 . . . . 0.0 110.11 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.42 -32.94 28.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -85.16 19.48 2.2 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.644 -0.66 . . . . 0.0 111.094 -179.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 665' ' ' SER . . . -61.34 103.26 0.28 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.203 -0.936 . . . . 0.0 109.328 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.96 -26.14 24.23 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.474 0.654 . . . . 0.0 109.933 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.27 -28.42 66.29 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 662' ' ' ALA . 0.5 OUTLIER -93.37 -24.44 18.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.563 -0.71 . . . . 0.0 109.963 179.49 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 12.9 m95 -75.93 -32.35 59.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.358 -0.838 . . . . 0.0 110.405 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -46.81 -29.47 1.98 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.317 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -40.06 79.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.581 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -72.81 -39.55 66.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.026 -1.046 . . . . 0.0 110.365 179.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.59 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.06 -31.68 72.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.64 -1.288 . . . . 0.0 109.554 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.63 -24.88 38.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 110.114 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.52 -58.8 4.93 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.569 -0.707 . . . . 0.0 110.703 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.06 72.01 4.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.546 -0.721 . . . . 0.0 110.231 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.97 96.84 10.83 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.41 -0.806 . . . . 0.0 110.187 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.009 HG22 ' CZ2' ' A' ' 678' ' ' TRP . 1.0 OUTLIER -52.47 -37.9 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.823 . . . . 0.0 110.803 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.449 ' H ' HG13 ' A' ' 675' ' ' ILE . 6.9 t -56.95 -24.31 51.95 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.859 -1.137 . . . . 0.0 108.848 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.447 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -74.86 -50.92 15.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.582 -0.699 . . . . 0.0 109.792 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.009 ' CZ2' HG22 ' A' ' 675' ' ' ILE . 19.7 p-90 -84.75 -17.47 38.2 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 118.49 -1.284 . . . . 0.0 111.269 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 675' ' ' ILE . 30.0 mt -71.85 -24.0 61.62 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.395 -0.815 . . . . 0.0 109.836 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.447 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.6 p-90 -50.35 -24.53 3.05 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 111.077 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.481 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -96.18 -23.72 16.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.47 -0.769 . . . . 0.0 110.681 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.7 OUTLIER -122.89 -84.16 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 120.867 -1.145 . . . . 0.0 110.897 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.47 ' CB ' HD22 ' A' ' 679' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.033 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.168 0.509 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.44 159.29 35.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.395 -0.816 . . . . 0.0 110.24 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.13 -158.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.405 -0.809 . . . . 0.0 110.195 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 660' ' ' LEU . 3.0 mp -91.4 -39.65 11.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.377 -0.827 . . . . 0.0 110.112 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 666' ' ' TRP . 0.4 OUTLIER -89.55 21.8 3.27 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.697 -0.627 . . . . 0.0 111.48 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.06 113.56 2.62 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 21.3 mt -52.77 -22.7 5.62 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.06 -178.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.95 -27.57 68.93 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -33.31 13.89 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 109.586 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.57 ' CD1' ' HA ' ' A' ' 661' ' ' LEU . 23.7 m95 -78.85 -31.05 45.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.704 -0.622 . . . . 0.0 110.686 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.33 -30.93 3.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 0.0 110.224 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -39.16 84.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -75.91 -39.17 56.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 179.138 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.556 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.2 OUTLIER -64.65 -30.86 71.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.649 -1.282 . . . . 0.0 109.838 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -24.29 36.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.101 -1.0 . . . . 0.0 109.718 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.533 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.57 -58.73 5.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.472 -0.767 . . . . 0.0 110.613 -179.201 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -72.94 80.56 1.18 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.522 -0.736 . . . . 0.0 110.165 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -87.48 60.9 6.29 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.4 -0.813 . . . . 0.0 110.192 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 74.3 mt -63.29 -35.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.277 -0.889 . . . . 0.0 110.324 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.5 m -50.7 -27.15 6.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.243 -0.911 . . . . 0.0 110.477 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -82.94 -24.33 33.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 109.187 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.22 -22.55 57.85 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.684 -0.635 . . . . 0.0 111.002 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.606 ' HA ' HD11 ' A' ' 682' ' ' ILE . 11.2 mt -77.39 -17.81 57.86 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.634 -0.666 . . . . 0.0 111.75 -177.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -45.53 -28.05 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.07 -1.019 . . . . 0.0 110.757 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -78.49 -34.78 47.23 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 111.535 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 679' ' ' LEU . 1.8 pp -120.42 4.07 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 120.699 -1.251 . . . . 0.0 112.269 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.531 ' N ' HD12 ' A' ' 682' ' ' ILE . 78.6 tttt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.234 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.191 0.519 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -155.77 91.2 1.28 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.359 -0.838 . . . . 0.0 110.229 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.88 172.63 1.27 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.367 -0.833 . . . . 0.0 110.151 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 47.6 mt -83.91 -29.94 26.75 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -87.77 23.09 2.09 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.652 -0.655 . . . . 0.0 110.934 -179.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.1 102.77 0.23 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.366 -0.834 . . . . 0.0 109.32 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 20.2 mt -54.14 -23.93 16.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.672 -0.642 . . . . 0.0 110.101 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -70.32 -29.53 66.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.393 -0.817 . . . . 0.0 109.109 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.41 -25.13 17.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.55 -0.719 . . . . 0.0 110.014 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -75.39 -32.84 60.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.393 -0.817 . . . . 0.0 110.403 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -47.09 -29.76 2.38 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.871 -0.731 . . . . 0.0 110.059 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -68.36 -42.15 79.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.443 -0.786 . . . . 0.0 109.583 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -70.09 -39.82 75.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.021 -1.049 . . . . 0.0 110.286 179.242 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.592 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.649 -1.282 . . . . 0.0 109.767 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -80.31 -25.59 39.26 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 110.28 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.43 -59.22 4.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.512 -0.743 . . . . 0.0 110.752 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -61.32 90.4 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -96.66 57.63 1.61 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.177 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.762 ' HA ' ' CD1' ' A' ' 678' ' ' TRP . 11.1 mt -50.86 -19.76 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.291 -0.881 . . . . 0.0 110.667 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 18.3 m -83.15 -25.49 31.83 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.541 -1.35 . . . . 0.0 109.675 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.7 -52.81 7.88 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.497 -0.752 . . . . 0.0 111.177 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.762 ' CD1' ' HA ' ' A' ' 675' ' ' ILE . 2.1 p-90 -64.8 -18.11 64.81 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.005 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 675' ' ' ILE . 9.0 mt -70.21 -19.95 63.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.645 -0.66 . . . . 0.0 110.789 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.422 ' CG ' ' N ' ' A' ' 681' ' ' TYR . 8.5 p-90 -45.26 -32.68 2.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.89 . . . . 0.0 111.636 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.948 ' CE1' HG23 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -71.71 -26.02 62.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.358 -0.839 . . . . 0.0 111.011 -179.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.948 HG23 ' CE1' ' A' ' 681' ' ' TYR . 0.5 OUTLIER -115.41 -83.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.491 -1.381 . . . . 0.0 110.559 178.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.177 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.163 0.506 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -167.9 139.72 3.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.387 -0.821 . . . . 0.0 110.324 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.14 -158.13 0.23 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.412 -0.805 . . . . 0.0 110.066 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 39.5 mt -85.95 -49.09 8.12 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.34 -0.85 . . . . 0.0 110.027 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.2 OUTLIER -82.79 19.03 1.41 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.828 -0.545 . . . . 0.0 111.13 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.03 104.03 0.33 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.233 -0.917 . . . . 0.0 109.317 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.95 -25.86 22.76 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.499 0.666 . . . . 0.0 109.973 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -29.35 67.94 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.567 -0.708 . . . . 0.0 109.109 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 5.0 m -93.35 -26.48 17.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 0.0 109.916 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.8 m95 -74.17 -32.77 63.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.497 -0.752 . . . . 0.0 110.21 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -32.94 15.04 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.752 . . . . 0.0 110.003 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . 0.449 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 35.0 m-80 -65.45 -26.78 68.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.378 -0.826 . . . . 0.0 109.769 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.65 -37.44 18.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.097 -1.002 . . . . 0.0 110.333 179.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.588 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.33 -31.01 72.05 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.688 -1.258 . . . . 0.0 110.698 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.449 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 3.4 p-10 -82.36 -20.97 36.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.873 -1.142 . . . . 0.0 110.214 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.551 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER -51.42 -58.71 5.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.393 -0.817 . . . . 0.0 110.531 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -73.79 145.15 45.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.415 -0.803 . . . . 0.0 110.085 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.18 44.77 1.15 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 0.0 110.185 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.485 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 32.8 mm -68.8 -30.13 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.7 m -52.21 -26.77 12.5 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.324 -0.86 . . . . 0.0 110.35 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.4 m-80 -83.51 -17.05 43.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.278 -0.889 . . . . 0.0 109.262 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -88.33 -28.32 21.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.742 -0.599 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.528 HD22 ' CB ' ' A' ' 683' ' ' LYS . 12.8 mt -76.87 -20.32 56.42 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.517 -0.74 . . . . 0.0 111.64 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.4 p-90 -51.32 -25.95 6.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.131 -0.98 . . . . 0.0 110.447 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.48 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -100.28 -25.22 14.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.523 -0.736 . . . . 0.0 110.315 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.45 -84.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 118.856 -1.137 . . . . 0.0 110.89 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.528 ' CB ' HD22 ' A' ' 679' ' ' LEU . 2.3 ttmt . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.215 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.244 0.545 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt 52.39 -162.92 0.08 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.292 -0.88 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.92 178.81 0.1 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.36 -0.837 . . . . 0.0 110.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.05 -24.79 19.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.346 -0.846 . . . . 0.0 110.245 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -86.39 21.23 2.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.549 -0.719 . . . . 0.0 110.976 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.22 104.45 0.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.5 pp -53.86 -25.8 21.58 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.419 0.628 . . . . 0.0 110.13 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 -30.0 69.38 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.606 -0.684 . . . . 0.0 109.188 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . 0.4 ' O ' ' ND2' ' A' ' 668' ' ' ASN . 73.8 p -93.42 -23.92 18.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.594 -0.691 . . . . 0.0 109.991 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -76.92 -31.65 56.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.566 -0.709 . . . . 0.0 110.597 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -48.91 -32.73 9.45 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.352 -0.842 . . . . 0.0 110.383 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . 0.455 ' HA ' ' OD1' ' A' ' 671' ' ' ASN . 0.0 OUTLIER -65.64 -26.91 68.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.296 -0.878 . . . . 0.0 109.931 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.8 OUTLIER -86.91 -37.6 17.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.999 -1.063 . . . . 0.0 110.551 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.586 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.5 -31.23 72.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.801 -1.187 . . . . 0.0 110.761 -178.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 668' ' ' ASN . 2.8 p-10 -81.58 -22.55 37.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.845 -1.16 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.522 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.2 OUTLIER -50.99 -59.14 4.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.368 -0.832 . . . . 0.0 110.666 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -61.28 96.14 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.427 -0.796 . . . . 0.0 110.208 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -82.29 59.58 4.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.387 -0.821 . . . . 0.0 110.101 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 1.1 pp -68.86 -30.5 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.406 -0.809 . . . . 0.0 110.804 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.6 m -51.86 -26.0 9.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.084 -1.01 . . . . 0.0 110.384 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.425 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.9 OUTLIER -85.09 -18.37 34.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.354 -0.841 . . . . 0.0 109.393 178.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -85.42 -24.85 27.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.637 -0.664 . . . . 0.0 111.367 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.6 ' O ' HG13 ' A' ' 682' ' ' ILE . 14.8 mt -79.84 -17.51 53.07 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.379 -0.825 . . . . 0.0 112.2 -176.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 3.1 p-90 -48.87 -24.62 1.52 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.788 -1.195 . . . . 0.0 111.327 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.476 ' CE1' HG22 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -101.09 -4.91 26.48 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.385 -0.822 . . . . 0.0 112.615 -178.703 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.6 HG13 ' O ' ' A' ' 679' ' ' LEU . 2.3 pp -78.18 -26.21 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.549 -1.345 . . . . 0.0 110.918 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.262 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.174 0.512 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 29.4 mttt 52.38 -174.09 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -178.91 0.1 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.382 -0.824 . . . . 0.0 110.122 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.37 -31.46 42.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.38 -0.825 . . . . 0.0 110.149 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 661' ' ' LEU . 0.1 OUTLIER -86.59 20.97 2.29 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.66 -0.65 . . . . 0.0 111.036 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.426 ' HB3' ' OG ' ' A' ' 665' ' ' SER . . . -61.23 103.52 0.3 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 23.0 mt -54.07 -24.09 16.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.709 -0.619 . . . . 0.0 110.183 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.38 -28.94 65.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.476 -0.765 . . . . 0.0 109.097 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . 0.426 ' OG ' ' HB3' ' A' ' 662' ' ' ALA . 94.3 p -93.42 -24.69 17.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.596 -0.69 . . . . 0.0 109.98 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.438 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.7 m95 -75.6 -32.78 60.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.467 -0.771 . . . . 0.0 110.443 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -47.17 -29.87 2.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.522 -0.736 . . . . 0.0 109.988 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -68.37 -42.56 78.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.545 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.7 OUTLIER -69.36 -39.87 77.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 110.281 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.592 ' HE3' ' HA ' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.775 -1.203 . . . . 0.0 109.625 -179.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -80.33 -25.58 39.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.07 -1.019 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.71 -59.18 4.35 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.544 -0.722 . . . . 0.0 110.714 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.5 131.69 50.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.528 -0.732 . . . . 0.0 110.236 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -99.28 46.64 0.97 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.27 -0.894 . . . . 0.0 110.279 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' A' ' 679' ' ' LEU . 66.5 mt -65.23 -33.09 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.335 -0.853 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.9 t -50.74 -26.44 5.58 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.218 -0.926 . . . . 0.0 110.437 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -83.25 -21.4 33.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.352 -0.843 . . . . 0.0 109.194 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 675' ' ' ILE . 1.4 m95 -82.6 -27.87 31.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.706 -0.621 . . . . 0.0 111.005 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 683' ' ' LYS . 12.5 mt -76.84 -20.4 56.38 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.64 -0.663 . . . . 0.0 111.509 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -51.69 -26.38 9.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.106 -0.996 . . . . 0.0 110.329 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.481 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -99.99 -25.16 14.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.578 -0.701 . . . . 0.0 110.298 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.45 -84.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.864 179.609 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.517 ' CB ' HD22 ' A' ' 679' ' ' LEU . 17.8 tttt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.259 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.293 0.568 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -166.41 61.15 0.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.229 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.92 -170.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -0.832 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.4 mp -94.53 -54.22 3.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.332 -0.855 . . . . 0.0 110.118 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 661' ' ' LEU . 0.1 OUTLIER -82.28 19.47 1.2 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.799 -0.563 . . . . 0.0 111.127 -179.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.97 104.45 0.37 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.182 -0.949 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.439 ' HA ' ' HB2' ' A' ' 666' ' ' TRP . 3.6 pp -54.1 -25.74 23.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.428 0.632 . . . . 0.0 110.099 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -67.65 -30.29 69.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.587 -0.695 . . . . 0.0 109.226 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 1.7 t -93.56 -25.58 17.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.511 -0.743 . . . . 0.0 110.098 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 663' ' ' LEU . 13.9 m95 -75.3 -32.94 61.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.42 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -47.11 -29.76 2.42 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.069 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -68.39 -41.84 79.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.388 -0.82 . . . . 0.0 109.597 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 672' ' ' TRP . 0.6 OUTLIER -70.51 -39.73 73.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 110.313 179.202 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.593 ' HA ' ' HE3' ' A' ' 670' ' ' TRP . 0.0 OUTLIER -64.4 -31.22 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 109.727 -179.59 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -80.41 -25.48 39.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.072 -1.018 . . . . 0.0 110.244 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.3 OUTLIER -50.58 -59.18 4.31 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.531 -0.731 . . . . 0.0 110.777 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -61.51 87.17 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.545 -0.722 . . . . 0.0 110.353 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.72 81.9 1.53 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.055 HG23 ' CZ2' ' A' ' 678' ' ' TRP . 1.1 mm -53.92 -38.83 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 O-C-N 121.349 -0.844 . . . . 0.0 109.571 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 97.1 m -54.55 -25.94 29.02 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.326 -0.95 . . . . 0.0 109.285 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.53 -49.77 24.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.505 -0.747 . . . . 0.0 109.478 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.055 ' CZ2' HG23 ' A' ' 675' ' ' ILE . 6.6 p-90 -86.51 -17.47 34.06 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 118.522 -1.271 . . . . 0.0 111.259 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.878 ' HG ' HG22 ' A' ' 675' ' ' ILE . 15.2 mt -70.64 -25.89 63.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.436 -0.79 . . . . 0.0 109.309 177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -51.55 -23.5 4.21 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.471 ' CD2' HG12 ' A' ' 682' ' ' ILE . 0.1 OUTLIER -95.27 -25.66 16.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.539 -0.726 . . . . 0.0 110.333 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.471 HG12 ' CD2' ' A' ' 681' ' ' TYR . 0.6 OUTLIER -123.09 -83.99 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 120.866 -1.146 . . . . 0.0 111.028 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.549 ' CB ' HD22 ' A' ' 679' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.256 -179.834 . . . . . . . . 2 2 . 1 stop_ save_