data_2pv6_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 2pv6 _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 full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.107 0.48 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.55 124.23 1.14 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -86.74 9.43 18.95 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.319 -0.863 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -76.6 -30.42 56.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.1 -1.0 . . . . 0.0 110.168 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -88.94 -38.37 14.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.328 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.89 -26.28 65.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.841 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 8.7 t -70.97 -34.03 71.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.07 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.709 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -78.35 -56.02 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 110.211 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.5 m95 -45.06 -29.42 0.87 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.958 -1.089 . . . . 0.0 109.921 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.59 -42.39 92.44 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.709 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.657 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -88.31 51.93 2.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.751 -0.593 . . . . 0.0 110.374 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -65.08 -14.45 60.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.015 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 24.5 pt -59.48 -37.98 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.482 -0.761 . . . . 0.0 110.589 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 679' ' ' LEU . 44.9 p -45.32 -23.83 0.23 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.709 -1.244 . . . . 0.0 110.231 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.765 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -66.99 -43.33 83.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 175.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.015 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -56.41 -23.68 39.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.928 0.87 . . . . 0.0 109.129 177.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.677 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -55.79 -9.95 0.65 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.687 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.765 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.1 p-90 -63.74 -12.9 38.84 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 119.977 -1.702 . . . . 0.0 109.734 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.33 -2.76 26.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.383 -0.823 . . . . 0.0 111.255 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 681' ' ' TYR . 1.1 tp -79.52 -36.1 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.271 -0.893 . . . . 0.0 110.243 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.299 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.203 0.525 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.23 99.13 4.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.817 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.89 9.07 20.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -76.7 -42.94 39.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 0.0 109.97 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -80.68 -46.63 15.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.46 -0.775 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.0 74.26 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.343 -0.848 . . . . 0.0 110.138 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.5 m -59.77 -28.6 67.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.31 -0.869 . . . . 0.0 109.808 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.686 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -76.89 -44.82 30.42 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.28 1.038 . . . . 0.0 109.535 179.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.77 -10.42 59.45 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.897 -1.127 . . . . 0.0 110.141 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -80.37 -68.19 0.7 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.216 -0.927 . . . . 0.0 109.452 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.686 ' CD1' ' O ' ' A' ' 669' ' ' LEU . 3.1 p-90 -58.87 -31.41 68.54 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.383 -0.823 . . . . 0.0 109.845 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER -87.96 56.74 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 0.0 110.256 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 674' ' ' ASN . 22.9 p-10 -66.23 -14.78 62.47 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.32 -0.862 . . . . 0.0 110.408 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.007 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 30.6 pt -57.09 -37.53 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.493 ' N ' HG13 ' A' ' 675' ' ' ILE . 57.4 p -45.04 -24.45 0.23 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.782 -1.199 . . . . 0.0 110.062 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.3 t30 -67.57 -42.42 82.57 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.007 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.87 -23.16 29.31 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 122.007 0.908 . . . . 0.0 108.736 177.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.684 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 5.7 tp -53.11 -8.8 0.12 Allowed 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.66 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.8 p-90 -62.18 -12.94 22.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.305 -1.497 . . . . 0.0 109.7 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.586 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.34 -1.68 21.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.366 -0.834 . . . . 0.0 111.384 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 681' ' ' TYR . 1.2 tp -79.21 -21.32 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.275 -0.891 . . . . 0.0 110.353 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.2 tptm . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.238 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.196 0.522 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.68 107.04 18.44 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.321 -0.862 . . . . 0.0 110.11 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.7 9.27 19.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 110.696 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -76.57 -49.98 15.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.233 -0.917 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -77.96 -30.45 50.35 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.406 -0.809 . . . . 0.0 110.037 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.49 -31.64 69.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 110.087 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.8 t -64.62 -33.91 77.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.382 -0.824 . . . . 0.0 109.94 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.691 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -76.54 -58.32 3.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.031 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 669' ' ' LEU . 18.7 m95 -45.29 -29.62 1.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.889 -1.132 . . . . 0.0 109.495 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -42.99 99.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.691 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -65.42 -27.64 68.68 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.013 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.636 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -78.98 62.5 3.43 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.957 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -71.37 -10.2 59.38 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.209 -0.932 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.03 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 2.7 pp -64.76 -37.64 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.259 -0.901 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.452 ' N ' ' CD1' ' A' ' 675' ' ' ILE . 71.4 p -45.31 -26.15 0.48 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.732 -1.23 . . . . 0.0 109.851 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -64.21 -43.42 95.07 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.495 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.03 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.97 -26.15 46.94 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 122.174 0.988 . . . . 0.0 109.155 178.101 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 6.5 tp -52.44 -7.01 0.06 Allowed 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 119.51 -0.876 . . . . 0.0 111.561 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.05 -13.73 7.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.41 -1.431 . . . . 0.0 110.339 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.543 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 14.3 p90 -68.25 -6.46 23.89 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.87 -1.143 . . . . 0.0 110.796 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 37.6 mm -77.77 -50.76 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.197 -0.94 . . . . 0.0 109.874 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.224 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.56 110.44 21.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 110.167 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -86.9 9.4 19.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -54.15 7.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.154 -0.966 . . . . 0.0 110.094 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -74.88 -28.82 60.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.97 60.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.354 -0.841 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 40.7 t -72.42 -31.28 65.36 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 110.14 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.702 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -80.48 -53.17 6.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.127 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -45.22 -28.62 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.94 -1.1 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -43.58 88.11 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.702 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -70.86 -26.69 63.37 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.061 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.632 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -85.54 64.57 8.71 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.085 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -64.91 -12.16 46.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 109.904 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.994 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 0.9 OUTLIER -57.08 -43.66 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.473 -0.767 . . . . 0.0 110.088 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 77.8 p -45.88 -25.41 0.52 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.493 -1.379 . . . . 0.0 109.703 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.699 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.5 OUTLIER -66.56 -41.14 89.09 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 175.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.994 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.54 -23.29 25.85 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 122.02 0.914 . . . . 0.0 108.658 177.61 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.719 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 13.7 tp -53.14 -9.24 0.14 Allowed 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.873 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.699 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -62.54 -13.4 30.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.232 -1.542 . . . . 0.0 109.73 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -73.38 -3.68 28.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.306 -0.871 . . . . 0.0 111.386 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.444 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -100.54 -23.04 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 110.092 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.224 0.535 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 109.83 1.51 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.226 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.82 9.32 19.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -39.59 52.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.103 -0.998 . . . . 0.0 110.086 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.49 -25.88 33.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.408 -0.808 . . . . 0.0 110.174 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -55.79 -35.68 66.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.358 -0.839 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 10.7 t -62.79 -30.04 71.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.028 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.708 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 56.0 tp -80.39 -56.89 3.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.345 -0.847 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 669' ' ' LEU . 16.6 m95 -44.87 -28.83 0.7 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.027 -1.046 . . . . 0.0 109.946 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -42.73 99.23 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.708 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -66.95 -27.3 67.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -73.71 58.82 0.63 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.698 -0.626 . . . . 0.0 110.544 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -79.23 -3.62 46.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.176 -0.952 . . . . 0.0 110.034 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.031 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 24.9 pt -70.88 -36.77 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.291 -0.88 . . . . 0.0 110.571 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.467 ' N ' HG13 ' A' ' 675' ' ' ILE . 81.6 p -45.12 -26.38 0.46 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.71 -1.243 . . . . 0.0 109.704 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.706 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.9 OUTLIER -63.64 -44.04 95.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.031 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.9 -25.29 42.18 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.998 0.904 . . . . 0.0 109.279 178.223 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.66 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 10.7 tp -51.99 -9.21 0.09 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.541 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.706 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.27 -13.8 9.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.475 -1.39 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.8 p90 -62.97 -14.98 54.2 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.45 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 681' ' ' TYR . 1.5 mt -79.37 -32.85 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.143 -0.973 . . . . 0.0 109.612 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.146 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.206 0.527 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 67.0 mt -98.85 -178.33 3.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.328 -0.858 . . . . 0.0 110.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.1 OUTLIER -55.31 -175.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.451 0.643 . . . . 0.0 110.512 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -13.7 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 664' ' ' ASP . 26.0 m95 -59.09 -39.56 82.57 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.76 -1.213 . . . . 0.0 109.568 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -52.74 -33.37 47.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 34.0 t -72.04 -31.0 65.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.473 -0.767 . . . . 0.0 109.586 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.695 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -80.54 -53.64 6.38 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 110.15 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 669' ' ' LEU . 9.6 m95 -45.23 -29.45 0.98 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.895 -1.128 . . . . 0.0 109.736 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -40.64 84.4 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.695 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -71.58 -29.1 64.33 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.653 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -88.13 67.91 8.96 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.493 179.375 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -63.3 -12.55 30.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.952 . . . . 0.0 109.029 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.009 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 5.6 mt -75.38 -45.33 40.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 O-C-N 121.604 -0.685 . . . . 0.0 109.862 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 15.1 t -45.84 -25.5 0.53 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.497 -1.377 . . . . 0.0 109.586 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -63.5 -43.4 97.32 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 175.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.009 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.71 -25.5 40.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.184 0.992 . . . . 0.0 109.158 178.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.71 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 11.0 tp -52.43 -8.74 0.09 Allowed 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.568 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.696 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.52 -13.66 9.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 110.578 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 10.0 p90 -63.62 -14.53 52.63 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.839 -1.163 . . . . 0.0 110.545 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.468 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.3 mt -79.18 -69.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 109.705 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.252 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.182 0.515 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 26.8 mt -124.95 101.75 7.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.44 -0.787 . . . . 0.0 110.156 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.61 9.64 17.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.36 -0.838 . . . . 0.0 110.607 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -76.5 -47.33 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.174 -0.954 . . . . 0.0 110.093 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -80.41 -36.52 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.198 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -62.02 -26.77 68.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 0.0 110.23 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 30.4 t -69.58 -30.96 68.85 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.71 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -80.24 -53.6 6.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.338 -0.851 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.4 m95 -45.02 -29.02 0.77 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 109.771 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.82 -42.78 98.37 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.71 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.09 -26.89 66.05 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.635 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -86.77 51.71 2.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.599 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -70.06 -11.07 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.128 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.016 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.9 pt -60.49 -37.85 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.478 ' N ' HG13 ' A' ' 675' ' ' ILE . 49.7 p -45.08 -24.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.71 -1.244 . . . . 0.0 110.111 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.709 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.1 t30 -67.52 -42.33 82.97 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.016 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.94 -23.32 31.28 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.011 0.91 . . . . 0.0 108.811 177.528 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.672 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 4.6 tp -54.45 -8.63 0.23 Allowed 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.75 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.709 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.5 p-90 -62.93 -13.58 36.41 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.249 -1.532 . . . . 0.0 109.719 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -72.81 -4.11 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 111.326 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -90.23 -31.31 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 109.926 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.231 0.538 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 38.5 mt -96.12 -178.24 4.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.619 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -55.29 -175.26 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 0.0 110.422 179.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -44.64 -13.15 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.715 -0.616 . . . . 0.0 112.485 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.476 ' N ' ' O ' ' A' ' 664' ' ' ASP . 41.6 m95 -59.18 -38.06 78.9 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.606 -1.309 . . . . 0.0 109.658 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.01 66.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -28.79 69.45 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.355 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.671 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 64.9 tp -78.32 -58.37 3.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.545 -0.722 . . . . 0.0 109.856 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 669' ' ' LEU . 16.0 m95 -45.05 -29.96 0.97 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 109.655 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -40.32 94.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.671 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.14 -28.06 67.82 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.62 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -82.38 55.55 2.94 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.067 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.04 -7.11 51.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.021 -1.049 . . . . 0.0 110.61 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.016 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 16.9 pt -65.89 -39.05 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.291 -0.881 . . . . 0.0 110.829 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.447 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 59.0 p -45.24 -24.98 0.32 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.55 -1.344 . . . . 0.0 110.016 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.678 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.1 t30 -67.47 -42.08 83.57 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.016 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.96 -23.43 32.24 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.936 0.874 . . . . 0.0 108.744 177.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.66 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 6.1 tp -53.57 -8.47 0.15 Allowed 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.684 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -62.33 -12.41 20.88 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.201 -1.562 . . . . 0.0 109.638 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.591 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.05 -1.06 18.42 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.333 -0.855 . . . . 0.0 111.61 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.475 HG12 ' CE1' ' A' ' 681' ' ' TYR . 43.8 mm -79.06 -40.85 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.972 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.216 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.178 0.514 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 45.6 mt -131.87 -178.57 4.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.433 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.3 OUTLIER -55.65 -175.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.729 -0.607 . . . . 0.0 110.478 179.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -13.12 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.457 ' N ' ' O ' ' A' ' 664' ' ' ASP . 25.1 m95 -58.96 -38.36 78.9 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.67 -1.269 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.96 68.97 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.351 -0.843 . . . . 0.0 109.801 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 33.3 m -69.99 -27.72 64.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.512 -0.743 . . . . 0.0 109.565 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.694 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 5.7 tt -80.01 -52.94 7.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.434 -0.791 . . . . 0.0 110.077 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -44.79 -29.11 0.72 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.134 -0.979 . . . . 0.0 109.839 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -40.8 97.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.694 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.73 -26.88 66.36 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.639 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -82.77 58.67 4.4 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.338 -179.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.88 -14.13 59.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.871 . . . . 0.0 110.218 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.03 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -58.69 -30.74 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.732 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 675' ' ' ILE . 81.6 p -44.93 -26.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.608 -1.307 . . . . 0.0 110.095 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.648 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -63.86 -44.1 94.15 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 175.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.03 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -56.2 -26.14 49.77 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.142 0.972 . . . . 0.0 109.24 178.003 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.679 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 1.5 tp -53.44 -5.74 0.06 Allowed 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.426 -0.909 . . . . 0.0 111.477 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.648 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.9 p-90 -59.08 -14.06 8.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 110.089 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.535 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 12.6 p90 -68.35 -6.09 22.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.82 -1.175 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 36.6 mm -77.9 -38.7 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.964 . . . . 0.0 109.891 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.183 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.224 0.535 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.8 119.38 9.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.848 . . . . 0.0 110.149 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -87.07 9.43 19.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.393 -0.817 . . . . 0.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -76.47 -40.12 51.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.046 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.31 -27.07 32.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.379 -0.826 . . . . 0.0 110.203 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -54.69 -41.98 70.89 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.366 -0.834 . . . . 0.0 110.284 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 10.1 t -61.1 -28.13 68.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 110.014 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.701 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 56.0 tp -79.89 -56.74 4.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.417 -0.802 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 669' ' ' LEU . 13.6 m95 -45.01 -28.74 0.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.997 -1.065 . . . . 0.0 109.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -40.89 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.701 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -69.08 -27.14 65.35 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.017 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.64 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -72.39 63.58 0.56 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.396 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -13.92 54.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.999 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.9 mt -59.28 -44.83 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.523 -0.735 . . . . 0.0 110.017 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 67.7 p -45.95 -25.16 0.5 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.428 -1.42 . . . . 0.0 109.605 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.683 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.3 t30 -67.46 -40.46 85.38 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 175.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 0.999 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.29 -23.32 22.67 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.068 0.937 . . . . 0.0 108.612 177.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.712 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 7.6 tp -52.56 -9.07 0.1 Allowed 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.658 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.683 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -61.63 -12.82 17.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.206 -1.558 . . . . 0.0 109.729 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -73.94 -0.8 17.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.364 -0.835 . . . . 0.0 111.572 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.478 HG12 ' CE1' ' A' ' 681' ' ' TYR . 42.5 mm -78.96 -22.62 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.196 -0.94 . . . . 0.0 110.004 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.189 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.122 0.487 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.3 mp -83.16 98.22 9.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.211 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.87 9.85 17.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 0.0 110.712 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -76.27 -46.69 26.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.098 -1.001 . . . . 0.0 110.208 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -82.1 -38.96 24.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.408 -0.807 . . . . 0.0 110.151 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.33 72.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 110.094 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 5.1 m -60.94 -31.25 70.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.393 -0.817 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.698 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -77.74 -55.04 5.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.406 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.8 m95 -44.99 -29.04 0.76 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.846 -1.159 . . . . 0.0 109.772 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -61.39 -42.92 99.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.698 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -66.77 -26.14 66.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.92 45.22 1.24 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.802 -179.545 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -83.17 5.33 23.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.196 -0.94 . . . . 0.0 109.875 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.025 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 20.4 pt -77.34 -36.09 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.364 -0.835 . . . . 0.0 110.766 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.451 ' N ' HG13 ' A' ' 675' ' ' ILE . 65.9 p -44.86 -26.75 0.44 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.605 -1.309 . . . . 0.0 109.839 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.8 OUTLIER -63.44 -44.14 95.41 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 175.383 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.025 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -56.01 -25.58 45.07 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.007 0.908 . . . . 0.0 109.32 178.171 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.668 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 10.1 tp -52.76 -8.01 0.08 Allowed 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.461 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.705 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.87 -14.07 13.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.402 -1.436 . . . . 0.0 110.548 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.536 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 9.9 p90 -63.74 -15.36 58.38 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.495 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.483 HG13 ' CE1' ' A' ' 681' ' ' TYR . 1.5 mt -79.38 -48.73 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.116 -0.99 . . . . 0.0 109.577 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.162 0.506 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.401 HD21 ' CB ' ' A' ' 665' ' ' LYS . 0.1 OUTLIER 62.26 123.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.44 -0.787 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.68 9.85 17.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.288 -0.882 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.401 ' CB ' HD21 ' A' ' 663' ' ' LEU . 4.2 tttp -76.36 -40.83 50.1 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 110.255 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -77.74 -27.31 50.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.303 -0.873 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.81 -22.77 49.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 29.2 t -70.36 -33.97 72.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.161 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.686 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -78.05 -56.21 4.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.405 -0.81 . . . . 0.0 110.116 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 669' ' ' LEU . 13.4 m95 -45.35 -29.56 1.08 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.48 -42.48 96.35 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.686 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.28 -27.5 67.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.638 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -81.8 65.08 6.78 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.756 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -64.37 -12.28 41.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 109.663 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.006 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.2 mp -60.98 -45.43 98.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.436 -0.79 . . . . 0.0 109.886 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 33.9 p -45.61 -26.7 0.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.5 -1.375 . . . . 0.0 109.37 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.714 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -63.55 -42.4 98.39 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.006 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.38 -25.69 36.89 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.12 0.962 . . . . 0.0 109.104 178.178 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.708 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 9.1 tp -51.87 -9.11 0.08 Allowed 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.44 -0.904 . . . . 0.0 111.639 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.714 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.68 -13.94 11.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.443 -1.411 . . . . 0.0 110.702 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.539 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 9.9 p90 -63.74 -14.73 55.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.778 -1.201 . . . . 0.0 110.404 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.6 mt -79.19 -30.72 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.097 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.15 0.5 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.2 mt 54.03 102.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.401 -0.812 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.42 9.5 17.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.296 -0.878 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -76.4 -51.05 12.62 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.119 -0.988 . . . . 0.0 110.047 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -76.98 -26.61 54.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.439 -0.788 . . . . 0.0 110.069 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.06 83.31 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.347 -0.846 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -29.29 70.47 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 109.967 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.695 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -80.45 -54.94 5.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -0.781 . . . . 0.0 110.232 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -45.08 -28.85 0.77 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.901 -1.125 . . . . 0.0 109.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.38 -43.69 92.86 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.695 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.51 -27.29 65.99 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -83.97 63.94 7.86 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.027 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -64.84 -11.88 42.26 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 109.921 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.009 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.5 mt -59.13 -43.48 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.395 -0.816 . . . . 0.0 109.873 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 679' ' ' LEU . 44.5 p -46.16 -25.63 0.63 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.399 -1.438 . . . . 0.0 109.535 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.716 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -64.46 -42.64 95.82 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 175.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.009 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.36 -25.85 37.64 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.098 0.951 . . . . 0.0 109.196 178.235 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.715 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.5 OUTLIER -52.05 -8.98 0.08 Allowed 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.64 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -60.05 -12.71 8.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.401 -1.437 . . . . 0.0 110.666 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.535 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 10.1 p90 -65.24 -13.29 57.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.791 -1.193 . . . . 0.0 110.405 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.483 ' CG1' ' CE1' ' A' ' 681' ' ' TYR . 70.7 mt -78.68 -27.37 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.17 -0.956 . . . . 0.0 110.031 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.3 tptm . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.238 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.183 0.516 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 11.0 mt 53.67 100.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -86.85 9.79 18.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.483 -0.76 . . . . 0.0 110.679 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.22 -55.69 5.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -0.935 . . . . 0.0 110.322 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 670' ' ' TRP . 96.2 m95 -60.76 -29.21 69.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.347 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.32 88.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 44.7 t -57.29 -30.0 64.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.264 -0.898 . . . . 0.0 109.974 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.704 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -76.08 -44.28 39.57 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.082 0.944 . . . . 0.0 109.609 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 666' ' ' TRP . 21.4 m95 -70.6 -12.01 61.3 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.776 -1.202 . . . . 0.0 110.081 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.82 -69.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 109.237 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.704 ' CD1' ' O ' ' A' ' 669' ' ' LEU . 4.5 p-90 -59.8 -32.16 70.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 109.616 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.4 OUTLIER -87.99 59.74 5.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.973 . . . . 0.0 110.128 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -65.3 -13.99 59.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.423 -0.798 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.021 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 2.7 pp -57.18 -36.6 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 110.66 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 679' ' ' LEU . 64.3 p -45.25 -25.82 0.42 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.825 -1.172 . . . . 0.0 109.829 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.712 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.4 t-20 -63.67 -44.55 93.43 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.021 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.9 -25.81 44.6 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.099 0.952 . . . . 0.0 109.502 178.129 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.681 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.3 OUTLIER -53.5 -7.23 0.09 Allowed 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.407 -179.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.712 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -60.45 -12.85 10.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.407 -1.433 . . . . 0.0 110.445 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.547 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.2 p90 -64.95 -13.26 56.81 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.748 -1.181 . . . . 0.0 110.432 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.491 HG13 ' CE1' ' A' ' 681' ' ' TYR . 74.3 mt -78.72 -28.12 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.042 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.212 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.321 0.581 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 116.57 4.62 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.213 -0.929 . . . . 0.0 110.08 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -86.74 9.11 19.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.664 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.87 55.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.0 109.91 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . 0.41 ' O ' ' CD1' ' A' ' 670' ' ' TRP . 63.1 m95 -88.1 -49.35 7.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.504 -0.747 . . . . 0.0 110.183 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.25 71.87 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -0.834 . . . . 0.0 109.979 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 11.0 t -60.91 -28.78 69.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.795 . . . . 0.0 109.729 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.705 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -80.42 -45.06 18.28 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.122 0.963 . . . . 0.0 109.577 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 666' ' ' TRP . 20.5 m95 -71.85 -10.72 60.18 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.06 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.75 -66.21 0.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.372 -0.83 . . . . 0.0 109.458 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.705 ' CD1' ' O ' ' A' ' 669' ' ' LEU . 3.4 p-90 -60.92 -31.33 70.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 109.892 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 669' ' ' LEU . 0.1 OUTLIER -87.84 60.47 5.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 110.11 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -67.61 -14.6 63.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.323 -0.861 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.006 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.0 pt -57.4 -38.41 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 110.53 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.478 ' N ' HG13 ' A' ' 675' ' ' ILE . 75.4 p -45.23 -24.35 0.26 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.847 -1.158 . . . . 0.0 110.142 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -66.64 -43.36 84.83 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.562 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.006 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.99 -23.34 32.06 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.035 0.922 . . . . 0.0 108.894 177.448 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.675 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 4.4 tp -54.56 -7.45 0.16 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.67 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.684 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.7 p-90 -62.42 -13.49 30.23 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.269 -1.519 . . . . 0.0 109.458 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.605 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.15 -3.01 27.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.315 -0.866 . . . . 0.0 111.451 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -79.88 -35.49 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 110.113 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.32 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.227 0.537 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.07 106.64 10.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.349 -0.844 . . . . 0.0 110.227 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.93 9.72 18.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -0.784 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -49.03 17.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.159 -0.963 . . . . 0.0 110.121 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -67.85 -27.09 66.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.08 66.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.167 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 9.9 t -61.89 -35.42 78.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.351 -0.843 . . . . 0.0 109.959 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.78 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 3.3 tm? -78.97 -64.76 1.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.406 -0.809 . . . . 0.0 109.885 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 669' ' ' LEU . 12.7 m95 -45.37 -26.79 0.58 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 110.12 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -55.33 -44.92 76.33 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.78 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -75.29 -27.72 59.45 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -87.43 52.85 2.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -65.07 -14.75 61.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.025 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.1 pt -58.49 -39.1 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.309 -0.869 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.491 ' N ' HG13 ' A' ' 675' ' ' ILE . 45.5 p -45.26 -25.97 0.44 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.771 -1.205 . . . . 0.0 109.896 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.706 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.1 t-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.025 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.98 -25.49 44.21 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.999 0.904 . . . . 0.0 109.321 177.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.671 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 5.0 tp -52.3 -8.79 0.09 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.566 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.706 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.59 -14.24 12.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.496 -1.377 . . . . 0.0 110.655 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.9 p90 -63.23 -15.9 58.51 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.44 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.453 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.2 mt -79.53 -31.25 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 109.79 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 38.5 mttt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.237 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 663' ' ' LEU . 7.3 pt-20 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.14 0.495 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 662' ' ' GLU . 2.4 mp 56.47 112.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.52 -0.738 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -84.91 9.41 14.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.879 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -76.71 -53.56 7.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.173 -0.955 . . . . 0.0 110.025 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -74.79 -31.07 61.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.452 -0.78 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -52.2 -26.19 11.01 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.363 -0.836 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.2 t -66.55 -29.74 69.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 109.945 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.714 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 66.1 tp -80.0 -58.16 3.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.436 -0.79 . . . . 0.0 110.116 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -45.0 -28.68 0.71 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.112 -0.993 . . . . 0.0 109.786 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -40.45 96.88 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.714 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.07 -28.57 68.31 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.024 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -73.86 63.22 0.89 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.166 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.73 -13.19 53.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.875 . . . . 0.0 109.82 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 1.014 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.6 mp -58.86 -44.67 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.512 -0.743 . . . . 0.0 110.008 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 68.3 p -45.94 -24.58 0.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.533 -1.355 . . . . 0.0 109.558 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.765 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.5 t-20 -68.63 -39.9 80.57 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' TRP . . . . . 1.014 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.37 -23.34 23.77 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 122.06 0.933 . . . . 0.0 108.613 177.653 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' LEU . . . . . 0.708 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 11.1 tp -51.11 -14.66 0.25 Allowed 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.934 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' TRP . . . . . 0.765 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.3 p-90 -63.23 -14.41 48.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.305 -1.497 . . . . 0.0 110.096 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . 0.523 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 0.0 OUTLIER -69.99 -9.15 54.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.321 -0.862 . . . . 0.0 111.241 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . 0.462 HG13 ' CE1' ' A' ' 681' ' ' TYR . 4.8 mt -80.98 -60.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 109.66 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.191 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.107 0.48 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.414 HD22 ' CB ' ' A' ' 665' ' ' LYS . 0.4 OUTLIER -167.55 124.23 1.14 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -86.74 9.43 18.95 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.319 -0.863 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.414 ' CB ' HD22 ' A' ' 663' ' ' LEU . 24.4 tttt -76.6 -30.42 56.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.1 -1.0 . . . . 0.0 110.168 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -88.94 -38.37 14.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.328 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.89 -26.28 65.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.841 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 8.7 t -70.97 -34.03 71.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.07 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.721 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -78.35 -56.02 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 110.211 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.5 m95 -45.06 -29.42 0.87 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.958 -1.089 . . . . 0.0 109.921 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.59 -42.39 92.44 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.721 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.657 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -88.31 51.93 2.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.751 -0.593 . . . . 0.0 110.374 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -65.08 -14.45 60.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.015 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 24.5 pt -59.48 -37.98 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.482 -0.761 . . . . 0.0 110.589 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 679' ' ' LEU . 44.9 p -45.32 -23.83 0.23 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.709 -1.244 . . . . 0.0 110.231 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.765 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -66.99 -43.33 83.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 175.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.015 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -56.41 -23.68 39.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.928 0.87 . . . . 0.0 109.129 177.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.677 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -55.79 -9.95 0.65 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.687 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.765 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.1 p-90 -63.74 -12.9 38.84 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 119.977 -1.702 . . . . 0.0 109.734 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.613 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.33 -2.76 26.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.383 -0.823 . . . . 0.0 111.255 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.539 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.1 tp -79.52 -36.1 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.271 -0.893 . . . . 0.0 110.243 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.299 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.203 0.525 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.23 99.13 4.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.817 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.89 9.07 20.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -76.7 -42.94 39.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 0.0 109.97 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -80.68 -46.63 15.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.46 -0.775 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.0 74.26 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.343 -0.848 . . . . 0.0 110.138 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.5 m -59.77 -28.6 67.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.31 -0.869 . . . . 0.0 109.808 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.774 HD13 ' HE1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -76.89 -44.82 30.42 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.28 1.038 . . . . 0.0 109.535 179.748 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.77 -10.42 59.45 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.897 -1.127 . . . . 0.0 110.141 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -80.37 -68.19 0.7 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.216 -0.927 . . . . 0.0 109.452 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.774 ' HE1' HD13 ' A' ' 669' ' ' LEU . 3.1 p-90 -58.87 -31.41 68.54 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.383 -0.823 . . . . 0.0 109.845 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -87.96 56.74 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 0.0 110.256 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 674' ' ' ASN . 22.9 p-10 -66.23 -14.78 62.47 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.32 -0.862 . . . . 0.0 110.408 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.007 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 30.6 pt -57.09 -37.53 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.51 ' N ' HG13 ' A' ' 675' ' ' ILE . 57.4 p -45.04 -24.45 0.23 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.782 -1.199 . . . . 0.0 110.062 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.3 t30 -67.57 -42.42 82.57 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.007 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.87 -23.16 29.31 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 122.007 0.908 . . . . 0.0 108.736 177.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.684 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 5.7 tp -53.11 -8.8 0.12 Allowed 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.66 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.8 p-90 -62.18 -12.94 22.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.305 -1.497 . . . . 0.0 109.7 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.626 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.34 -1.68 21.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.366 -0.834 . . . . 0.0 111.384 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.537 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.2 tp -79.21 -21.32 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.275 -0.891 . . . . 0.0 110.353 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.2 tptm . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.238 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.196 0.522 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 663' ' ' LEU . 3.4 mm? -87.68 107.04 18.44 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.321 -0.862 . . . . 0.0 110.11 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.7 9.27 19.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 110.696 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -76.57 -49.98 15.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.233 -0.917 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -77.96 -30.45 50.35 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.406 -0.809 . . . . 0.0 110.037 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.49 -31.64 69.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 110.087 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.8 t -64.62 -33.91 77.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.382 -0.824 . . . . 0.0 109.94 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.703 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -76.54 -58.32 3.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.031 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 673' ' ' PHE . 18.7 m95 -45.29 -29.62 1.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.889 -1.132 . . . . 0.0 109.495 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -42.99 99.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.703 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -65.42 -27.64 68.68 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.013 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.636 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -78.98 62.5 3.43 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.957 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -71.37 -10.2 59.38 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.209 -0.932 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.03 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 2.7 pp -64.76 -37.64 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.259 -0.901 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.726 ' N ' HD12 ' A' ' 675' ' ' ILE . 71.4 p -45.31 -26.15 0.48 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.732 -1.23 . . . . 0.0 109.851 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -64.21 -43.42 95.07 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.495 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.03 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.97 -26.15 46.94 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 122.174 0.988 . . . . 0.0 109.155 178.101 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 6.5 tp -52.44 -7.01 0.06 Allowed 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 119.51 -0.876 . . . . 0.0 111.561 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.05 -13.73 7.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.41 -1.431 . . . . 0.0 110.339 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.543 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 14.3 p90 -68.25 -6.46 23.89 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.87 -1.143 . . . . 0.0 110.796 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 37.6 mm -77.77 -50.76 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.197 -0.94 . . . . 0.0 109.874 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.224 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.56 110.44 21.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 110.167 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -86.9 9.4 19.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -54.15 7.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.154 -0.966 . . . . 0.0 110.094 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -74.88 -28.82 60.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.97 60.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.354 -0.841 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 40.7 t -72.42 -31.28 65.36 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 110.14 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.713 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -80.48 -53.17 6.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.127 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -45.22 -28.62 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.94 -1.1 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -43.58 88.11 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.713 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -70.86 -26.69 63.37 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.061 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.632 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -85.54 64.57 8.71 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.085 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -64.91 -12.16 46.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 109.904 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.994 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 0.9 OUTLIER -57.08 -43.66 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.473 -0.767 . . . . 0.0 110.088 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 77.8 p -45.88 -25.41 0.52 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.493 -1.379 . . . . 0.0 109.703 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.699 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.5 OUTLIER -66.56 -41.14 89.09 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 175.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.994 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.54 -23.29 25.85 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 122.02 0.914 . . . . 0.0 108.658 177.61 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.719 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 13.7 tp -53.14 -9.24 0.14 Allowed 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.873 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.699 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -62.54 -13.4 30.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.232 -1.542 . . . . 0.0 109.73 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.973 ' CE1' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -73.38 -3.68 28.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.306 -0.871 . . . . 0.0 111.386 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.973 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -100.54 -23.04 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 110.092 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.224 0.535 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.709 HD23 ' HD3' ' A' ' 665' ' ' LYS . 0.8 OUTLIER -62.59 109.83 1.51 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.226 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.82 9.32 19.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.709 ' HD3' HD23 ' A' ' 663' ' ' LEU . 0.6 OUTLIER -76.47 -39.59 52.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.103 -0.998 . . . . 0.0 110.086 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.49 -25.88 33.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.408 -0.808 . . . . 0.0 110.174 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -55.79 -35.68 66.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.358 -0.839 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 10.7 t -62.79 -30.04 71.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.028 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.721 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 56.0 tp -80.39 -56.89 3.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.345 -0.847 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.465 ' HA ' ' HB2' ' A' ' 673' ' ' PHE . 16.6 m95 -44.87 -28.83 0.7 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.027 -1.046 . . . . 0.0 109.946 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -42.73 99.23 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.721 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -66.95 -27.3 67.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.855 ' CE1' HD11 ' A' ' 675' ' ' ILE . 0.2 OUTLIER -73.71 58.82 0.63 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.698 -0.626 . . . . 0.0 110.544 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -79.23 -3.62 46.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.176 -0.952 . . . . 0.0 110.034 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.031 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 24.9 pt -70.88 -36.77 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.291 -0.88 . . . . 0.0 110.571 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.722 HG23 ' HD1' ' A' ' 673' ' ' PHE . 81.6 p -45.12 -26.38 0.46 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.71 -1.243 . . . . 0.0 109.704 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.706 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.9 OUTLIER -63.64 -44.04 95.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.354 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.031 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.9 -25.29 42.18 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.998 0.904 . . . . 0.0 109.279 178.223 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.66 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 10.7 tp -51.99 -9.21 0.09 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.541 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.706 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.27 -13.8 9.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.475 -1.39 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.579 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.8 p90 -62.97 -14.98 54.2 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.45 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.483 HG13 ' CE1' ' A' ' 681' ' ' TYR . 1.5 mt -79.37 -32.85 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.143 -0.973 . . . . 0.0 109.612 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.146 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.206 0.527 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 67.0 mt -98.85 -178.33 3.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.328 -0.858 . . . . 0.0 110.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.1 OUTLIER -55.31 -175.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.451 0.643 . . . . 0.0 110.512 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -13.7 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 664' ' ' ASP . 26.0 m95 -59.09 -39.56 82.57 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.76 -1.213 . . . . 0.0 109.568 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -52.74 -33.37 47.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 34.0 t -72.04 -31.0 65.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.473 -0.767 . . . . 0.0 109.586 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.937 HD23 ' CD1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -80.54 -53.64 6.38 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 110.15 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 669' ' ' LEU . 9.6 m95 -45.23 -29.45 0.98 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.895 -1.128 . . . . 0.0 109.736 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -40.64 84.4 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.937 ' CD1' HD23 ' A' ' 669' ' ' LEU . 0.0 OUTLIER -71.58 -29.1 64.33 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.899 ' O ' HG22 ' A' ' 676' ' ' THR . 0.1 OUTLIER -88.13 67.91 8.96 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.493 179.375 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -63.3 -12.55 30.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.952 . . . . 0.0 109.029 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.009 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 5.6 mt -75.38 -45.33 40.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 O-C-N 121.604 -0.685 . . . . 0.0 109.862 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.899 HG22 ' O ' ' A' ' 673' ' ' PHE . 15.1 t -45.84 -25.5 0.53 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.497 -1.377 . . . . 0.0 109.586 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -63.5 -43.4 97.32 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 175.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.009 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.71 -25.5 40.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.184 0.992 . . . . 0.0 109.158 178.011 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.71 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 11.0 tp -52.43 -8.74 0.09 Allowed 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.568 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.696 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.52 -13.66 9.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 110.578 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.585 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 10.0 p90 -63.62 -14.53 52.63 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.839 -1.163 . . . . 0.0 110.545 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 683' ' ' LYS . 1.3 mt -79.18 -69.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 109.705 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' LYS . . . . . 0.594 ' N ' HG22 ' A' ' 682' ' ' ILE . 7.2 ptmt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.182 0.515 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 26.8 mt -124.95 101.75 7.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.44 -0.787 . . . . 0.0 110.156 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.61 9.64 17.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.36 -0.838 . . . . 0.0 110.607 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -76.5 -47.33 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.174 -0.954 . . . . 0.0 110.093 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -80.41 -36.52 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.198 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -62.02 -26.77 68.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 0.0 110.23 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 30.4 t -69.58 -30.96 68.85 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.904 HD23 ' CD1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -80.24 -53.6 6.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.338 -0.851 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.4 m95 -45.02 -29.02 0.77 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 109.771 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.82 -42.78 98.37 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.904 ' CD1' HD23 ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.09 -26.89 66.05 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.635 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -86.77 51.71 2.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.599 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -70.06 -11.07 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.128 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.016 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.9 pt -60.49 -37.85 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.495 ' N ' HG13 ' A' ' 675' ' ' ILE . 49.7 p -45.08 -24.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.71 -1.244 . . . . 0.0 110.111 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.709 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.1 t30 -67.52 -42.33 82.97 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.016 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.94 -23.32 31.28 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.011 0.91 . . . . 0.0 108.811 177.528 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.672 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 4.6 tp -54.45 -8.63 0.23 Allowed 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.75 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.709 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.5 p-90 -62.93 -13.58 36.41 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.249 -1.532 . . . . 0.0 109.719 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.843 ' CE1' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -72.81 -4.11 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 111.326 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -90.23 -31.31 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 109.926 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.231 0.538 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 38.5 mt -96.12 -178.24 4.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.619 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -55.29 -175.26 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 0.0 110.422 179.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -44.64 -13.15 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.715 -0.616 . . . . 0.0 112.485 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.476 ' N ' ' O ' ' A' ' 664' ' ' ASP . 41.6 m95 -59.18 -38.06 78.9 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.606 -1.309 . . . . 0.0 109.658 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.01 66.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -28.79 69.45 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.355 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.681 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 64.9 tp -78.32 -58.37 3.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.545 -0.722 . . . . 0.0 109.856 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 669' ' ' LEU . 16.0 m95 -45.05 -29.96 0.97 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 109.655 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -40.32 94.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.681 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.14 -28.06 67.82 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.649 ' CE1' HD11 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -82.38 55.55 2.94 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.067 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.04 -7.11 51.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.021 -1.049 . . . . 0.0 110.61 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.016 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 16.9 pt -65.89 -39.05 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.291 -0.881 . . . . 0.0 110.829 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 675' ' ' ILE . 59.0 p -45.24 -24.98 0.32 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.55 -1.344 . . . . 0.0 110.016 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.678 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.1 t30 -67.47 -42.08 83.57 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.016 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.96 -23.43 32.24 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.936 0.874 . . . . 0.0 108.744 177.657 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.66 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 6.1 tp -53.57 -8.47 0.15 Allowed 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.684 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -62.33 -12.41 20.88 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.201 -1.562 . . . . 0.0 109.638 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.05 -1.06 18.42 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.333 -0.855 . . . . 0.0 111.61 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.482 HG12 ' CE1' ' A' ' 681' ' ' TYR . 43.8 mm -79.06 -40.85 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.972 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.216 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.178 0.514 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 45.6 mt -131.87 -178.57 4.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.433 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.3 OUTLIER -55.65 -175.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.729 -0.607 . . . . 0.0 110.478 179.62 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -13.12 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.457 ' N ' ' O ' ' A' ' 664' ' ' ASP . 25.1 m95 -58.96 -38.36 78.9 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.67 -1.269 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.96 68.97 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.351 -0.843 . . . . 0.0 109.801 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 33.3 m -69.99 -27.72 64.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.512 -0.743 . . . . 0.0 109.565 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.708 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 5.7 tt -80.01 -52.94 7.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.434 -0.791 . . . . 0.0 110.077 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.411 ' NE1' ' HB3' ' A' ' 666' ' ' TRP . 10.0 m95 -44.79 -29.11 0.72 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.134 -0.979 . . . . 0.0 109.839 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -40.8 97.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.708 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.73 -26.88 66.36 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.846 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.639 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -82.77 58.67 4.4 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.338 -179.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.88 -14.13 59.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.871 . . . . 0.0 110.218 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.03 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -58.69 -30.74 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.732 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 675' ' ' ILE . 81.6 p -44.93 -26.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.608 -1.307 . . . . 0.0 110.095 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.648 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -63.86 -44.1 94.15 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 175.592 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.03 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -56.2 -26.14 49.77 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.142 0.972 . . . . 0.0 109.24 178.003 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.679 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 1.5 tp -53.44 -5.74 0.06 Allowed 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.426 -0.909 . . . . 0.0 111.477 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.648 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.9 p-90 -59.08 -14.06 8.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 110.089 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.535 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 12.6 p90 -68.35 -6.09 22.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.82 -1.175 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 36.6 mm -77.9 -38.7 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.964 . . . . 0.0 109.891 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.183 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.224 0.535 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 665' ' ' LYS . 0.2 OUTLIER -144.8 119.38 9.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.848 . . . . 0.0 110.149 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -87.07 9.43 19.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.393 -0.817 . . . . 0.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.481 ' HB2' HD23 ' A' ' 663' ' ' LEU . 14.9 mttt -76.47 -40.12 51.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.046 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.31 -27.07 32.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.379 -0.826 . . . . 0.0 110.203 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -54.69 -41.98 70.89 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.366 -0.834 . . . . 0.0 110.284 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 10.1 t -61.1 -28.13 68.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 110.014 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.715 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 56.0 tp -79.89 -56.74 4.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.417 -0.802 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.47 ' HA ' ' HB2' ' A' ' 673' ' ' PHE . 13.6 m95 -45.01 -28.74 0.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.997 -1.065 . . . . 0.0 109.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -40.89 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.715 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -69.08 -27.14 65.35 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.017 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.64 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -72.39 63.58 0.56 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.396 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -13.92 54.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.999 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.9 mt -59.28 -44.83 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.523 -0.735 . . . . 0.0 110.017 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 67.7 p -45.95 -25.16 0.5 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.428 -1.42 . . . . 0.0 109.605 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.683 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.3 t30 -67.46 -40.46 85.38 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 175.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 0.999 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.29 -23.32 22.67 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.068 0.937 . . . . 0.0 108.612 177.658 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.712 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 7.6 tp -52.56 -9.07 0.1 Allowed 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.658 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.683 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -61.63 -12.82 17.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.206 -1.558 . . . . 0.0 109.729 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.608 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -73.94 -0.8 17.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.364 -0.835 . . . . 0.0 111.572 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.481 HG12 ' CE1' ' A' ' 681' ' ' TYR . 42.5 mm -78.96 -22.62 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.196 -0.94 . . . . 0.0 110.004 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.189 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.122 0.487 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.3 mp -83.16 98.22 9.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.211 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.87 9.85 17.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 0.0 110.712 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -76.27 -46.69 26.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.098 -1.001 . . . . 0.0 110.208 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -82.1 -38.96 24.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.408 -0.807 . . . . 0.0 110.151 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.33 72.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 110.094 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 5.1 m -60.94 -31.25 70.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.393 -0.817 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.925 HD23 ' CD1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -77.74 -55.04 5.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.406 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.8 m95 -44.99 -29.04 0.76 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.846 -1.159 . . . . 0.0 109.772 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -61.39 -42.92 99.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.925 ' CD1' HD23 ' A' ' 669' ' ' LEU . 0.0 OUTLIER -66.77 -26.14 66.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.92 45.22 1.24 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.802 -179.545 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -83.17 5.33 23.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.196 -0.94 . . . . 0.0 109.875 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.025 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 20.4 pt -77.34 -36.09 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.364 -0.835 . . . . 0.0 110.766 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.471 ' N ' HG13 ' A' ' 675' ' ' ILE . 65.9 p -44.86 -26.75 0.44 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.605 -1.309 . . . . 0.0 109.839 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.8 OUTLIER -63.44 -44.14 95.41 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 175.383 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.025 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -56.01 -25.58 45.07 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.007 0.908 . . . . 0.0 109.32 178.171 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.668 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 10.1 tp -52.76 -8.01 0.08 Allowed 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.461 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.705 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.87 -14.07 13.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.402 -1.436 . . . . 0.0 110.548 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.9 p90 -63.74 -15.36 58.38 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.495 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 681' ' ' TYR . 1.5 mt -79.38 -48.73 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.116 -0.99 . . . . 0.0 109.577 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.162 0.506 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.628 HD23 ' HB2' ' A' ' 665' ' ' LYS . 0.1 OUTLIER 62.26 123.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.44 -0.787 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.68 9.85 17.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.288 -0.882 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.628 ' HB2' HD23 ' A' ' 663' ' ' LEU . 4.2 tttp -76.36 -40.83 50.1 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 110.255 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -77.74 -27.31 50.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.303 -0.873 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.81 -22.77 49.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 29.2 t -70.36 -33.97 72.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.161 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -78.05 -56.21 4.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.405 -0.81 . . . . 0.0 110.116 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 669' ' ' LEU . 13.4 m95 -45.35 -29.56 1.08 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.48 -42.48 96.35 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.762 ' CD1' HD23 ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.28 -27.5 67.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.638 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -81.8 65.08 6.78 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.756 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -64.37 -12.28 41.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 109.663 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.006 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.2 mp -60.98 -45.43 98.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.436 -0.79 . . . . 0.0 109.886 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 33.9 p -45.61 -26.7 0.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.5 -1.375 . . . . 0.0 109.37 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.714 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -63.55 -42.4 98.39 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.006 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.38 -25.69 36.89 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.12 0.962 . . . . 0.0 109.104 178.178 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.708 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 9.1 tp -51.87 -9.11 0.08 Allowed 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.44 -0.904 . . . . 0.0 111.639 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.714 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.68 -13.94 11.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.443 -1.411 . . . . 0.0 110.702 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.9 p90 -63.74 -14.73 55.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.778 -1.201 . . . . 0.0 110.404 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.6 mt -79.19 -30.72 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.097 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.15 0.5 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.2 mt 54.03 102.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.401 -0.812 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.42 9.5 17.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.296 -0.878 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -76.4 -51.05 12.62 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.119 -0.988 . . . . 0.0 110.047 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -76.98 -26.61 54.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.439 -0.788 . . . . 0.0 110.069 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.06 83.31 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.347 -0.846 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -29.29 70.47 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 109.967 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.708 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -80.45 -54.94 5.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -0.781 . . . . 0.0 110.232 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -45.08 -28.85 0.77 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.901 -1.125 . . . . 0.0 109.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.38 -43.69 92.86 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.708 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.51 -27.29 65.99 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -83.97 63.94 7.86 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.027 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -64.84 -11.88 42.26 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 109.921 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.009 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.5 mt -59.13 -43.48 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.395 -0.816 . . . . 0.0 109.873 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 679' ' ' LEU . 44.5 p -46.16 -25.63 0.63 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.399 -1.438 . . . . 0.0 109.535 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.716 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -64.46 -42.64 95.82 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 175.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.009 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.36 -25.85 37.64 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.098 0.951 . . . . 0.0 109.196 178.235 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.715 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.5 OUTLIER -52.05 -8.98 0.08 Allowed 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.64 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -60.05 -12.71 8.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.401 -1.437 . . . . 0.0 110.666 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 10.1 p90 -65.24 -13.29 57.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.791 -1.193 . . . . 0.0 110.405 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.507 HG13 ' CE1' ' A' ' 681' ' ' TYR . 70.7 mt -78.68 -27.37 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.17 -0.956 . . . . 0.0 110.031 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.3 tptm . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.238 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.183 0.516 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 11.0 mt 53.67 100.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -86.85 9.79 18.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.483 -0.76 . . . . 0.0 110.679 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.22 -55.69 5.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -0.935 . . . . 0.0 110.322 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 670' ' ' TRP . 96.2 m95 -60.76 -29.21 69.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.347 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.32 88.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 44.7 t -57.29 -30.0 64.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.264 -0.898 . . . . 0.0 109.974 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.704 ' O ' ' CD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -76.08 -44.28 39.57 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.082 0.944 . . . . 0.0 109.609 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 666' ' ' TRP . 21.4 m95 -70.6 -12.01 61.3 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.776 -1.202 . . . . 0.0 110.081 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.82 -69.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 109.237 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.704 ' CD1' ' O ' ' A' ' 669' ' ' LEU . 4.5 p-90 -59.8 -32.16 70.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 109.616 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.694 ' CE2' HD11 ' A' ' 675' ' ' ILE . 0.4 OUTLIER -87.99 59.74 5.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.973 . . . . 0.0 110.128 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -65.3 -13.99 59.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.423 -0.798 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.021 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 2.7 pp -57.18 -36.6 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 110.66 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.707 ' N ' HD12 ' A' ' 675' ' ' ILE . 64.3 p -45.25 -25.82 0.42 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.825 -1.172 . . . . 0.0 109.829 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.712 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.4 t-20 -63.67 -44.55 93.43 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.021 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.9 -25.81 44.6 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.099 0.952 . . . . 0.0 109.502 178.129 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.681 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.3 OUTLIER -53.5 -7.23 0.09 Allowed 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.407 -179.719 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.712 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -60.45 -12.85 10.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.407 -1.433 . . . . 0.0 110.445 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.2 p90 -64.95 -13.26 56.81 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.748 -1.181 . . . . 0.0 110.432 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.516 HG13 ' CE1' ' A' ' 681' ' ' TYR . 74.3 mt -78.72 -28.12 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.042 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.212 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.321 0.581 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 116.57 4.62 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.213 -0.929 . . . . 0.0 110.08 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -86.74 9.11 19.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.664 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.87 55.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.0 109.91 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' TRP . . . . . 0.41 ' O ' ' CD1' ' A' ' 670' ' ' TRP . 63.1 m95 -88.1 -49.35 7.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.504 -0.747 . . . . 0.0 110.183 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.25 71.87 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -0.834 . . . . 0.0 109.979 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 11.0 t -60.91 -28.78 69.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.795 . . . . 0.0 109.729 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.792 HD13 ' HE1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -80.42 -45.06 18.28 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.122 0.963 . . . . 0.0 109.577 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 666' ' ' TRP . 20.5 m95 -71.85 -10.72 60.18 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.06 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.75 -66.21 0.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.372 -0.83 . . . . 0.0 109.458 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.792 ' HE1' HD13 ' A' ' 669' ' ' LEU . 3.4 p-90 -60.92 -31.33 70.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 109.892 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -87.84 60.47 5.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 110.11 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -67.61 -14.6 63.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.323 -0.861 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.006 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.0 pt -57.4 -38.41 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 110.53 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.495 ' N ' HG13 ' A' ' 675' ' ' ILE . 75.4 p -45.23 -24.35 0.26 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.847 -1.158 . . . . 0.0 110.142 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -66.64 -43.36 84.83 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.562 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.006 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.99 -23.34 32.06 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.035 0.922 . . . . 0.0 108.894 177.448 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.675 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 4.4 tp -54.56 -7.45 0.16 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.67 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.684 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.7 p-90 -62.42 -13.49 30.23 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.269 -1.519 . . . . 0.0 109.458 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.648 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.15 -3.01 27.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.315 -0.866 . . . . 0.0 111.451 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.491 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -79.88 -35.49 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 110.113 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.32 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.227 0.537 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.07 106.64 10.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.349 -0.844 . . . . 0.0 110.227 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.93 9.72 18.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -0.784 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -49.03 17.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.159 -0.963 . . . . 0.0 110.121 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -67.85 -27.09 66.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.08 66.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.167 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 9.9 t -61.89 -35.42 78.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.351 -0.843 . . . . 0.0 109.959 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.792 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 3.3 tm? -78.97 -64.76 1.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.406 -0.809 . . . . 0.0 109.885 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 669' ' ' LEU . 12.7 m95 -45.37 -26.79 0.58 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 110.12 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -55.33 -44.92 76.33 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.792 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -75.29 -27.72 59.45 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -87.43 52.85 2.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -65.07 -14.75 61.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.025 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.1 pt -58.49 -39.1 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.309 -0.869 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.51 ' N ' HG13 ' A' ' 675' ' ' ILE . 45.5 p -45.26 -25.97 0.44 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.771 -1.205 . . . . 0.0 109.896 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.706 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.1 t-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.025 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.98 -25.49 44.21 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.999 0.904 . . . . 0.0 109.321 177.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.671 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 5.0 tp -52.3 -8.79 0.09 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.566 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.706 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.59 -14.24 12.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.496 -1.377 . . . . 0.0 110.655 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.9 p90 -63.23 -15.9 58.51 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.44 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.453 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.2 mt -79.53 -31.25 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 109.79 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 38.5 mttt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.237 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.14 0.495 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.4 mp 56.47 112.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.52 -0.738 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -84.91 9.41 14.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.879 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -76.71 -53.56 7.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.173 -0.955 . . . . 0.0 110.025 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -74.79 -31.07 61.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.452 -0.78 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -52.2 -26.19 11.01 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.363 -0.836 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.2 t -66.55 -29.74 69.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 109.945 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.726 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 66.1 tp -80.0 -58.16 3.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.436 -0.79 . . . . 0.0 110.116 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -45.0 -28.68 0.71 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.112 -0.993 . . . . 0.0 109.786 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -40.45 96.88 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.726 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.07 -28.57 68.31 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.024 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -73.86 63.22 0.89 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.166 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.73 -13.19 53.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.875 . . . . 0.0 109.82 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 1.014 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.6 mp -58.86 -44.67 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.512 -0.743 . . . . 0.0 110.008 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 676' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 68.3 p -45.94 -24.58 0.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.533 -1.355 . . . . 0.0 109.558 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.765 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.5 t-20 -68.63 -39.9 80.57 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' TRP . . . . . 1.014 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.37 -23.34 23.77 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 122.06 0.933 . . . . 0.0 108.613 177.653 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 679' ' ' LEU . . . . . 0.708 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 11.1 tp -51.11 -14.66 0.25 Allowed 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.934 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 680' ' ' TRP . . . . . 0.765 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.3 p-90 -63.23 -14.41 48.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.305 -1.497 . . . . 0.0 110.096 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -69.99 -9.15 54.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.321 -0.862 . . . . 0.0 111.241 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.456 HG13 ' CE1' ' A' ' 681' ' ' TYR . 4.8 mt -80.98 -60.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 109.66 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.191 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.107 0.48 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.414 HD22 ' CB ' ' A' ' 665' ' ' LYS . 0.4 OUTLIER -167.55 124.23 1.14 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.438 -0.789 . . . . 0.0 110.054 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -86.74 9.43 18.95 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.319 -0.863 . . . . 0.0 110.604 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.414 ' CB ' HD22 ' A' ' 663' ' ' LEU . 24.4 tttt -76.6 -30.42 56.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.1 -1.0 . . . . 0.0 110.168 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -88.94 -38.37 14.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.328 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.89 -26.28 65.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.841 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 8.7 t -70.97 -34.03 71.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.07 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.721 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -78.35 -56.02 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 110.211 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.414 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.5 m95 -45.06 -29.42 0.87 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.958 -1.089 . . . . 0.0 109.921 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.59 -42.39 92.44 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.721 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.54 -29.14 67.64 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.657 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -88.31 51.93 2.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.751 -0.593 . . . . 0.0 110.374 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -65.08 -14.45 60.52 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.254 -0.904 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.015 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 24.5 pt -59.48 -37.98 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.482 -0.761 . . . . 0.0 110.589 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 679' ' ' LEU . 44.9 p -45.32 -23.83 0.23 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.709 -1.244 . . . . 0.0 110.231 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.765 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -66.99 -43.33 83.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 175.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.015 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -56.41 -23.68 39.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.928 0.87 . . . . 0.0 109.129 177.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.677 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -55.79 -9.95 0.65 Allowed 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.687 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.765 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.1 p-90 -63.74 -12.9 38.84 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 119.977 -1.702 . . . . 0.0 109.734 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.613 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.33 -2.76 26.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.383 -0.823 . . . . 0.0 111.255 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.539 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.1 tp -79.52 -36.1 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.271 -0.893 . . . . 0.0 110.243 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.299 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.203 0.525 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.5 mp -76.23 99.13 4.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.817 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.89 9.07 20.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -76.7 -42.94 39.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 0.0 109.97 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -80.68 -46.63 15.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.46 -0.775 . . . . 0.0 110.106 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.0 74.26 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.343 -0.848 . . . . 0.0 110.138 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.5 m -59.77 -28.6 67.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.31 -0.869 . . . . 0.0 109.808 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.774 HD13 ' HE1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -76.89 -44.82 30.42 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.28 1.038 . . . . 0.0 109.535 179.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.77 -10.42 59.45 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.897 -1.127 . . . . 0.0 110.141 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -80.37 -68.19 0.7 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.216 -0.927 . . . . 0.0 109.452 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.774 ' HE1' HD13 ' A' ' 669' ' ' LEU . 3.1 p-90 -58.87 -31.41 68.54 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.383 -0.823 . . . . 0.0 109.845 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -87.96 56.74 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.057 -1.027 . . . . 0.0 110.256 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 674' ' ' ASN . 22.9 p-10 -66.23 -14.78 62.47 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.32 -0.862 . . . . 0.0 110.408 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.007 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 30.6 pt -57.09 -37.53 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 110.578 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.51 ' N ' HG13 ' A' ' 675' ' ' ILE . 57.4 p -45.04 -24.45 0.23 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.782 -1.199 . . . . 0.0 110.062 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.3 t30 -67.57 -42.42 82.57 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.007 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.87 -23.16 29.31 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 122.007 0.908 . . . . 0.0 108.736 177.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.684 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 5.7 tp -53.11 -8.8 0.12 Allowed 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.66 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.8 p-90 -62.18 -12.94 22.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.305 -1.497 . . . . 0.0 109.7 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.626 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.34 -1.68 21.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.366 -0.834 . . . . 0.0 111.384 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.537 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.2 tp -79.21 -21.32 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.275 -0.891 . . . . 0.0 110.353 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 2.2 tptm . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.238 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.196 0.522 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 663' ' ' LEU . 3.4 mm? -87.68 107.04 18.44 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.321 -0.862 . . . . 0.0 110.11 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -86.7 9.27 19.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 110.696 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -76.57 -49.98 15.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.233 -0.917 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -77.96 -30.45 50.35 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.406 -0.809 . . . . 0.0 110.037 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.49 -31.64 69.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 110.087 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.8 t -64.62 -33.91 77.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.382 -0.824 . . . . 0.0 109.94 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.703 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -76.54 -58.32 3.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.417 -0.802 . . . . 0.0 110.031 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 673' ' ' PHE . 18.7 m95 -45.29 -29.62 1.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.889 -1.132 . . . . 0.0 109.495 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -42.99 99.57 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.703 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -65.42 -27.64 68.68 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.013 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.636 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -78.98 62.5 3.43 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.957 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -71.37 -10.2 59.38 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.209 -0.932 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.03 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 2.7 pp -64.76 -37.64 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.259 -0.901 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.726 ' N ' HD12 ' A' ' 675' ' ' ILE . 71.4 p -45.31 -26.15 0.48 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.732 -1.23 . . . . 0.0 109.851 -178.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.664 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -64.21 -43.42 95.07 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.495 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.03 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.97 -26.15 46.94 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 122.174 0.988 . . . . 0.0 109.155 178.101 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 6.5 tp -52.44 -7.01 0.06 Allowed 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 119.51 -0.876 . . . . 0.0 111.561 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.664 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.05 -13.73 7.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.41 -1.431 . . . . 0.0 110.339 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.543 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 14.3 p90 -68.25 -6.46 23.89 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.87 -1.143 . . . . 0.0 110.796 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 37.6 mm -77.77 -50.76 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.197 -0.94 . . . . 0.0 109.874 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.224 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.56 110.44 21.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 110.167 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -86.9 9.4 19.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -54.15 7.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.154 -0.966 . . . . 0.0 110.094 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -74.88 -28.82 60.8 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.383 -0.823 . . . . 0.0 110.135 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.97 60.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.354 -0.841 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 40.7 t -72.42 -31.28 65.36 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.31 -0.869 . . . . 0.0 110.14 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.713 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -80.48 -53.17 6.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.456 -0.777 . . . . 0.0 110.127 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -45.22 -28.62 0.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.94 -1.1 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -43.58 88.11 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.713 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -70.86 -26.69 63.37 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 178.061 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.632 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -85.54 64.57 8.71 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.085 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -64.91 -12.16 46.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.355 -0.841 . . . . 0.0 109.904 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.994 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 0.9 OUTLIER -57.08 -43.66 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.473 -0.767 . . . . 0.0 110.088 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 77.8 p -45.88 -25.41 0.52 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.493 -1.379 . . . . 0.0 109.703 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.699 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.5 OUTLIER -66.56 -41.14 89.09 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 175.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.994 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.54 -23.29 25.85 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 122.02 0.914 . . . . 0.0 108.658 177.61 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.719 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 13.7 tp -53.14 -9.24 0.14 Allowed 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.873 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.699 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -62.54 -13.4 30.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.232 -1.542 . . . . 0.0 109.73 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.973 ' CE1' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -73.38 -3.68 28.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.306 -0.871 . . . . 0.0 111.386 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.973 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -100.54 -23.04 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.205 -0.935 . . . . 0.0 110.092 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.187 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.224 0.535 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.709 HD23 ' HD3' ' A' ' 665' ' ' LYS . 0.8 OUTLIER -62.59 109.83 1.51 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.226 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.82 9.32 19.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.846 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.709 ' HD3' HD23 ' A' ' 663' ' ' LEU . 0.6 OUTLIER -76.47 -39.59 52.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.103 -0.998 . . . . 0.0 110.086 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -82.49 -25.88 33.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.408 -0.808 . . . . 0.0 110.174 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -55.79 -35.68 66.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.358 -0.839 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 10.7 t -62.79 -30.04 71.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.312 -0.868 . . . . 0.0 110.028 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.721 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 56.0 tp -80.39 -56.89 3.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.345 -0.847 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.465 ' HA ' ' HB2' ' A' ' 673' ' ' PHE . 16.6 m95 -44.87 -28.83 0.7 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.027 -1.046 . . . . 0.0 109.946 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -42.73 99.23 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.721 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -66.95 -27.3 67.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.855 ' CE1' HD11 ' A' ' 675' ' ' ILE . 0.2 OUTLIER -73.71 58.82 0.63 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.698 -0.626 . . . . 0.0 110.544 -179.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -79.23 -3.62 46.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.176 -0.952 . . . . 0.0 110.034 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.031 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 24.9 pt -70.88 -36.77 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.291 -0.88 . . . . 0.0 110.571 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.722 HG23 ' HD1' ' A' ' 673' ' ' PHE . 81.6 p -45.12 -26.38 0.46 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.71 -1.243 . . . . 0.0 109.704 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.706 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.9 OUTLIER -63.64 -44.04 95.02 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.233 -1.766 . . . . 0.0 106.233 175.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.031 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.9 -25.29 42.18 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.998 0.904 . . . . 0.0 109.279 178.223 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.66 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 10.7 tp -51.99 -9.21 0.09 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.541 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.706 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.27 -13.8 9.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.475 -1.39 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.579 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.8 p90 -62.97 -14.98 54.2 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 118.782 -1.167 . . . . 0.0 110.45 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.483 HG13 ' CE1' ' A' ' 681' ' ' TYR . 1.5 mt -79.37 -32.85 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.143 -0.973 . . . . 0.0 109.612 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.146 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.206 0.527 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 67.0 mt -98.85 -178.33 3.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.328 -0.858 . . . . 0.0 110.493 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.1 OUTLIER -55.31 -175.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.451 0.643 . . . . 0.0 110.512 179.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -13.7 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 664' ' ' ASP . 26.0 m95 -59.09 -39.56 82.57 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.76 -1.213 . . . . 0.0 109.568 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -52.74 -33.37 47.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.436 -0.79 . . . . 0.0 109.672 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 34.0 t -72.04 -31.0 65.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.473 -0.767 . . . . 0.0 109.586 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.937 HD23 ' CD1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -80.54 -53.64 6.38 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.488 -0.757 . . . . 0.0 110.15 179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 669' ' ' LEU . 9.6 m95 -45.23 -29.45 0.98 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.895 -1.128 . . . . 0.0 109.736 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -40.64 84.4 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.937 ' CD1' HD23 ' A' ' 669' ' ' LEU . 0.0 OUTLIER -71.58 -29.1 64.33 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.899 ' O ' HG22 ' A' ' 676' ' ' THR . 0.1 OUTLIER -88.13 67.91 8.96 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.493 179.375 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -63.3 -12.55 30.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.952 . . . . 0.0 109.029 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.009 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 5.6 mt -75.38 -45.33 40.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 O-C-N 121.604 -0.685 . . . . 0.0 109.862 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.899 HG22 ' O ' ' A' ' 673' ' ' PHE . 15.1 t -45.84 -25.5 0.53 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.497 -1.377 . . . . 0.0 109.586 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.696 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.1 OUTLIER -63.5 -43.4 97.32 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 175.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.009 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.71 -25.5 40.46 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.184 0.992 . . . . 0.0 109.158 178.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.71 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 11.0 tp -52.43 -8.74 0.09 Allowed 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.523 -0.871 . . . . 0.0 111.568 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.696 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.52 -13.66 9.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 110.578 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.585 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 10.0 p90 -63.62 -14.53 52.63 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.839 -1.163 . . . . 0.0 110.545 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 683' ' ' LYS . 1.3 mt -79.18 -69.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.193 -0.942 . . . . 0.0 109.705 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . 0.594 ' N ' HG22 ' A' ' 682' ' ' ILE . 7.2 ptmt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.182 0.515 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 26.8 mt -124.95 101.75 7.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.44 -0.787 . . . . 0.0 110.156 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.61 9.64 17.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.36 -0.838 . . . . 0.0 110.607 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -76.5 -47.33 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.174 -0.954 . . . . 0.0 110.093 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -80.41 -36.52 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.198 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -62.02 -26.77 68.43 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 0.0 110.23 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 30.4 t -69.58 -30.96 68.85 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.904 HD23 ' CD1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -80.24 -53.6 6.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.338 -0.851 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.4 m95 -45.02 -29.02 0.77 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 109.771 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.82 -42.78 98.37 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.904 ' CD1' HD23 ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.09 -26.89 66.05 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.635 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -86.77 51.71 2.31 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.599 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -70.06 -11.07 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.128 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.016 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.9 pt -60.49 -37.85 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.495 ' N ' HG13 ' A' ' 675' ' ' ILE . 49.7 p -45.08 -24.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.71 -1.244 . . . . 0.0 110.111 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.709 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.1 t30 -67.52 -42.33 82.97 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.016 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.94 -23.32 31.28 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.011 0.91 . . . . 0.0 108.811 177.528 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.672 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 4.6 tp -54.45 -8.63 0.23 Allowed 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.75 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.709 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.5 p-90 -62.93 -13.58 36.41 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.249 -1.532 . . . . 0.0 109.719 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.843 ' CE1' HD13 ' A' ' 682' ' ' ILE . 0.0 OUTLIER -72.81 -4.11 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 111.326 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -90.23 -31.31 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 109.926 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.164 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.231 0.538 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 38.5 mt -96.12 -178.24 4.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 110.619 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.5 OUTLIER -55.29 -175.26 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 0.0 110.422 179.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -44.64 -13.15 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.715 -0.616 . . . . 0.0 112.485 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.476 ' N ' ' O ' ' A' ' 664' ' ' ASP . 41.6 m95 -59.18 -38.06 78.9 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.606 -1.309 . . . . 0.0 109.658 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.01 66.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.553 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -28.79 69.45 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.484 -0.76 . . . . 0.0 109.355 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.681 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 64.9 tp -78.32 -58.37 3.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.545 -0.722 . . . . 0.0 109.856 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 669' ' ' LEU . 16.0 m95 -45.05 -29.96 0.97 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 109.655 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -40.32 94.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.681 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.14 -28.06 67.82 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.649 ' CE1' HD11 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -82.38 55.55 2.94 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.067 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.04 -7.11 51.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.021 -1.049 . . . . 0.0 110.61 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.016 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 16.9 pt -65.89 -39.05 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.291 -0.881 . . . . 0.0 110.829 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 675' ' ' ILE . 59.0 p -45.24 -24.98 0.32 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.55 -1.344 . . . . 0.0 110.016 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.678 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 2.1 t30 -67.47 -42.08 83.57 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.016 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.96 -23.43 32.24 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.936 0.874 . . . . 0.0 108.744 177.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.66 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 6.1 tp -53.57 -8.47 0.15 Allowed 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.784 -0.767 . . . . 0.0 111.684 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -62.33 -12.41 20.88 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.201 -1.562 . . . . 0.0 109.638 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.05 -1.06 18.42 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.333 -0.855 . . . . 0.0 111.61 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.482 HG12 ' CE1' ' A' ' 681' ' ' TYR . 43.8 mm -79.06 -40.85 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.146 -0.972 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.216 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.178 0.514 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 45.6 mt -131.87 -178.57 4.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.433 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 666' ' ' TRP . 0.3 OUTLIER -55.65 -175.47 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.729 -0.607 . . . . 0.0 110.478 179.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -13.12 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.457 ' N ' ' O ' ' A' ' 664' ' ' ASP . 25.1 m95 -58.96 -38.36 78.9 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.67 -1.269 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.96 68.97 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.351 -0.843 . . . . 0.0 109.801 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 33.3 m -69.99 -27.72 64.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.512 -0.743 . . . . 0.0 109.565 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.708 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 5.7 tt -80.01 -52.94 7.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.434 -0.791 . . . . 0.0 110.077 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.411 ' NE1' ' HB3' ' A' ' 666' ' ' TRP . 10.0 m95 -44.79 -29.11 0.72 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.134 -0.979 . . . . 0.0 109.839 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -40.8 97.89 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.708 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.73 -26.88 66.36 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.639 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -82.77 58.67 4.4 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.338 -179.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.88 -14.13 59.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.307 -0.871 . . . . 0.0 110.218 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.03 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 0.2 OUTLIER -58.69 -30.74 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.732 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 675' ' ' ILE . 81.6 p -44.93 -26.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.608 -1.307 . . . . 0.0 110.095 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.648 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -63.86 -44.1 94.15 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 175.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.03 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -56.2 -26.14 49.77 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.142 0.972 . . . . 0.0 109.24 178.003 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.679 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 1.5 tp -53.44 -5.74 0.06 Allowed 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.426 -0.909 . . . . 0.0 111.477 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.648 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.9 p-90 -59.08 -14.06 8.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.487 -1.383 . . . . 0.0 110.089 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.535 ' N ' ' CE3' ' A' ' 680' ' ' TRP . 12.6 p90 -68.35 -6.09 22.42 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.82 -1.175 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 36.6 mm -77.9 -38.7 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.964 . . . . 0.0 109.891 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.183 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.224 0.535 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 665' ' ' LYS . 0.2 OUTLIER -144.8 119.38 9.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.344 -0.848 . . . . 0.0 110.149 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -87.07 9.43 19.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.393 -0.817 . . . . 0.0 110.56 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.481 ' HB2' HD23 ' A' ' 663' ' ' LEU . 14.9 mttt -76.47 -40.12 51.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.046 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -82.31 -27.07 32.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.379 -0.826 . . . . 0.0 110.203 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -54.69 -41.98 70.89 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.366 -0.834 . . . . 0.0 110.284 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 10.1 t -61.1 -28.13 68.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 110.014 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.715 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 56.0 tp -79.89 -56.74 4.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.417 -0.802 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.47 ' HA ' ' HB2' ' A' ' 673' ' ' PHE . 13.6 m95 -45.01 -28.74 0.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.997 -1.065 . . . . 0.0 109.937 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.0 -40.89 97.19 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.715 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -69.08 -27.14 65.35 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.017 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.64 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -72.39 63.58 0.56 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.396 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -13.92 54.85 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.355 -0.841 . . . . 0.0 109.713 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.999 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.9 mt -59.28 -44.83 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.523 -0.735 . . . . 0.0 110.017 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 67.7 p -45.95 -25.16 0.5 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.428 -1.42 . . . . 0.0 109.605 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.683 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.3 t30 -67.46 -40.46 85.38 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 175.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 0.999 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.29 -23.32 22.67 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.068 0.937 . . . . 0.0 108.612 177.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.712 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 7.6 tp -52.56 -9.07 0.1 Allowed 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.658 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.683 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.6 p-90 -61.63 -12.82 17.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.206 -1.558 . . . . 0.0 109.729 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.608 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -73.94 -0.8 17.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.364 -0.835 . . . . 0.0 111.572 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.481 HG12 ' CE1' ' A' ' 681' ' ' TYR . 42.5 mm -78.96 -22.62 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.196 -0.94 . . . . 0.0 110.004 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.189 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.122 0.487 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.3 mp -83.16 98.22 9.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.211 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.87 9.85 17.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.331 -0.856 . . . . 0.0 110.712 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -76.27 -46.69 26.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.098 -1.001 . . . . 0.0 110.208 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -82.1 -38.96 24.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.408 -0.807 . . . . 0.0 110.151 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.33 72.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 110.094 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 5.1 m -60.94 -31.25 70.81 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.393 -0.817 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.925 HD23 ' CD1' ' A' ' 672' ' ' TRP . 0.4 OUTLIER -77.74 -55.04 5.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.406 ' C ' ' O ' ' A' ' 669' ' ' LEU . 10.8 m95 -44.99 -29.04 0.76 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.846 -1.159 . . . . 0.0 109.772 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -61.39 -42.92 99.5 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.925 ' CD1' HD23 ' A' ' 669' ' ' LEU . 0.0 OUTLIER -66.77 -26.14 66.82 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -86.92 45.22 1.24 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.802 -179.545 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -83.17 5.33 23.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.196 -0.94 . . . . 0.0 109.875 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.025 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 20.4 pt -77.34 -36.09 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.364 -0.835 . . . . 0.0 110.766 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.471 ' N ' HG13 ' A' ' 675' ' ' ILE . 65.9 p -44.86 -26.75 0.44 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.605 -1.309 . . . . 0.0 109.839 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.8 OUTLIER -63.44 -44.14 95.41 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 175.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.025 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -56.01 -25.58 45.07 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.007 0.908 . . . . 0.0 109.32 178.171 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.668 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 10.1 tp -52.76 -8.01 0.08 Allowed 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.461 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.705 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.87 -14.07 13.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.402 -1.436 . . . . 0.0 110.548 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.9 p90 -63.74 -15.36 58.38 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.495 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 681' ' ' TYR . 1.5 mt -79.38 -48.73 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.116 -0.99 . . . . 0.0 109.577 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.162 0.506 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.628 HD23 ' HB2' ' A' ' 665' ' ' LYS . 0.1 OUTLIER 62.26 123.35 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.44 -0.787 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.68 9.85 17.48 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.288 -0.882 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.628 ' HB2' HD23 ' A' ' 663' ' ' LEU . 4.2 tttp -76.36 -40.83 50.1 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 110.255 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -77.74 -27.31 50.44 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.303 -0.873 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.81 -22.77 49.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.31 -0.868 . . . . 0.0 110.358 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 29.2 t -70.36 -33.97 72.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -0.86 . . . . 0.0 110.161 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -78.05 -56.21 4.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.405 -0.81 . . . . 0.0 110.116 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.415 ' C ' ' O ' ' A' ' 669' ' ' LEU . 13.4 m95 -45.35 -29.56 1.08 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.48 -42.48 96.35 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.762 ' CD1' HD23 ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.28 -27.5 67.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 177.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.638 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -81.8 65.08 6.78 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.756 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -64.37 -12.28 41.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 109.663 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.006 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.2 mp -60.98 -45.43 98.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.436 -0.79 . . . . 0.0 109.886 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 33.9 p -45.61 -26.7 0.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.5 -1.375 . . . . 0.0 109.37 -179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.714 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -63.55 -42.4 98.39 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 175.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.006 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.38 -25.69 36.89 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.12 0.962 . . . . 0.0 109.104 178.178 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.708 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 9.1 tp -51.87 -9.11 0.08 Allowed 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.44 -0.904 . . . . 0.0 111.639 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.714 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -59.68 -13.94 11.92 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.443 -1.411 . . . . 0.0 110.702 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.9 p90 -63.74 -14.73 55.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.778 -1.201 . . . . 0.0 110.404 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.6 mt -79.19 -30.72 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.166 -0.959 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.097 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.15 0.5 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 17.2 mt 54.03 102.38 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.401 -0.812 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.42 9.5 17.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.296 -0.878 . . . . 0.0 110.69 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -76.4 -51.05 12.62 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.119 -0.988 . . . . 0.0 110.047 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -76.98 -26.61 54.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.439 -0.788 . . . . 0.0 110.069 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.7 -39.06 83.31 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.347 -0.846 . . . . 0.0 110.076 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -29.29 70.47 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.329 -0.857 . . . . 0.0 109.967 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.708 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -80.45 -54.94 5.23 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -0.781 . . . . 0.0 110.232 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -45.08 -28.85 0.77 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.901 -1.125 . . . . 0.0 109.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.38 -43.69 92.86 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.708 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -68.51 -27.29 65.99 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.2 OUTLIER -83.97 63.94 7.86 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.027 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -64.84 -11.88 42.26 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.392 -0.817 . . . . 0.0 109.921 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.009 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.5 mt -59.13 -43.48 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.395 -0.816 . . . . 0.0 109.873 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 679' ' ' LEU . 44.5 p -46.16 -25.63 0.63 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.399 -1.438 . . . . 0.0 109.535 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.716 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.6 t-20 -64.46 -42.64 95.82 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 175.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.009 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.36 -25.85 37.64 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.098 0.951 . . . . 0.0 109.196 178.235 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.715 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.5 OUTLIER -52.05 -8.98 0.08 Allowed 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.64 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.716 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -60.05 -12.71 8.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.401 -1.437 . . . . 0.0 110.666 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 10.1 p90 -65.24 -13.29 57.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.791 -1.193 . . . . 0.0 110.405 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.507 HG13 ' CE1' ' A' ' 681' ' ' TYR . 70.7 mt -78.68 -27.37 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.17 -0.956 . . . . 0.0 110.031 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 1.3 tptm . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.238 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.183 0.516 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 11.0 mt 53.67 100.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -86.85 9.79 18.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.483 -0.76 . . . . 0.0 110.679 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.22 -55.69 5.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.204 -0.935 . . . . 0.0 110.322 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.401 ' O ' ' CD1' ' A' ' 670' ' ' TRP . 96.2 m95 -60.76 -29.21 69.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.391 -0.818 . . . . 0.0 110.347 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.32 88.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.347 -0.846 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 44.7 t -57.29 -30.0 64.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.264 -0.898 . . . . 0.0 109.974 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.704 HD13 ' HE1' ' A' ' 672' ' ' TRP . 0.5 OUTLIER -76.08 -44.28 39.57 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.082 0.944 . . . . 0.0 109.609 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 666' ' ' TRP . 21.4 m95 -70.6 -12.01 61.3 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.776 -1.202 . . . . 0.0 110.081 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.82 -69.86 0.41 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 109.237 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.704 ' HE1' HD13 ' A' ' 669' ' ' LEU . 4.5 p-90 -59.8 -32.16 70.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 109.616 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.694 ' CE2' HD11 ' A' ' 675' ' ' ILE . 0.4 OUTLIER -87.99 59.74 5.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.144 -0.973 . . . . 0.0 110.128 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -65.3 -13.99 59.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.423 -0.798 . . . . 0.0 110.498 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.021 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 2.7 pp -57.18 -36.6 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 110.66 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.707 ' N ' HD12 ' A' ' 675' ' ' ILE . 64.3 p -45.25 -25.82 0.42 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.825 -1.172 . . . . 0.0 109.829 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.712 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.4 t-20 -63.67 -44.55 93.43 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 175.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.021 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.9 -25.81 44.6 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.099 0.952 . . . . 0.0 109.502 178.129 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.681 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 0.3 OUTLIER -53.5 -7.23 0.09 Allowed 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 119.416 -0.913 . . . . 0.0 111.407 -179.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.712 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.7 p-90 -60.45 -12.85 10.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.407 -1.433 . . . . 0.0 110.445 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.2 p90 -64.95 -13.26 56.81 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.748 -1.181 . . . . 0.0 110.432 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.516 HG13 ' CE1' ' A' ' 681' ' ' TYR . 74.3 mt -78.72 -28.12 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 110.042 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.212 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.321 0.581 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 116.57 4.62 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.213 -0.929 . . . . 0.0 110.08 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -86.74 9.11 19.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.664 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -28.87 55.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.0 109.91 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . 0.41 ' O ' ' CD1' ' A' ' 670' ' ' TRP . 63.1 m95 -88.1 -49.35 7.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.504 -0.747 . . . . 0.0 110.183 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.25 71.87 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -0.834 . . . . 0.0 109.979 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 11.0 t -60.91 -28.78 69.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.427 -0.795 . . . . 0.0 109.729 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.792 HD13 ' HE1' ' A' ' 672' ' ' TRP . 0.3 OUTLIER -80.42 -45.06 18.28 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.122 0.963 . . . . 0.0 109.577 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.41 ' CD1' ' O ' ' A' ' 666' ' ' TRP . 20.5 m95 -71.85 -10.72 60.18 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.928 -1.108 . . . . 0.0 110.06 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.75 -66.21 0.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.372 -0.83 . . . . 0.0 109.458 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.792 ' HE1' HD13 ' A' ' 669' ' ' LEU . 3.4 p-90 -60.92 -31.33 70.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.278 -0.889 . . . . 0.0 109.892 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 675' ' ' ILE . 0.1 OUTLIER -87.84 60.47 5.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 110.11 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -67.61 -14.6 63.08 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.323 -0.861 . . . . 0.0 110.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.006 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.0 pt -57.4 -38.41 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.0 110.53 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.495 ' N ' HG13 ' A' ' 675' ' ' ILE . 75.4 p -45.23 -24.35 0.26 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.847 -1.158 . . . . 0.0 110.142 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.684 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 0.2 OUTLIER -66.64 -43.36 84.83 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.562 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.006 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.99 -23.34 32.06 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.035 0.922 . . . . 0.0 108.894 177.448 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.675 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 4.4 tp -54.56 -7.45 0.16 Allowed 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.67 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.684 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.7 p-90 -62.42 -13.49 30.23 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.269 -1.519 . . . . 0.0 109.458 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.648 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -74.15 -3.01 27.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.315 -0.866 . . . . 0.0 111.451 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.491 HD13 ' CE1' ' A' ' 681' ' ' TYR . 1.0 OUTLIER -79.88 -35.49 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 110.113 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.32 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.227 0.537 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.07 106.64 10.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.349 -0.844 . . . . 0.0 110.227 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.93 9.72 18.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.446 -0.784 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -49.03 17.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.159 -0.963 . . . . 0.0 110.121 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -67.85 -27.09 66.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.391 -0.818 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.08 66.49 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.343 -0.848 . . . . 0.0 110.167 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 9.9 t -61.89 -35.42 78.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.351 -0.843 . . . . 0.0 109.959 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.792 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 3.3 tm? -78.97 -64.76 1.11 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.406 -0.809 . . . . 0.0 109.885 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 669' ' ' LEU . 12.7 m95 -45.37 -26.79 0.58 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.099 -1.001 . . . . 0.0 110.12 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -55.33 -44.92 76.33 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.792 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -75.29 -27.72 59.45 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -87.43 52.85 2.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -65.07 -14.75 61.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.025 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 26.1 pt -58.49 -39.1 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.309 -0.869 . . . . 0.0 110.66 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.51 ' N ' HG13 ' A' ' 675' ' ' ILE . 45.5 p -45.26 -25.97 0.44 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.771 -1.205 . . . . 0.0 109.896 -178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.706 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.1 t-20 -63.51 -44.57 93.92 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.025 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.0 OUTLIER -55.98 -25.49 44.21 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.999 0.904 . . . . 0.0 109.321 177.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.671 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 5.0 tp -52.3 -8.79 0.09 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.566 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.706 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 1.8 p-90 -59.59 -14.24 12.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.496 -1.377 . . . . 0.0 110.655 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 679' ' ' LEU . 9.9 p90 -63.23 -15.9 58.51 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 118.766 -1.174 . . . . 0.0 110.44 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.453 ' CD1' ' CE1' ' A' ' 681' ' ' TYR . 1.2 mt -79.53 -31.25 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.149 -0.97 . . . . 0.0 109.79 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 38.5 mttt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.237 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.14 0.495 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 2.4 mp 56.47 112.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.52 -0.738 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -84.91 9.41 14.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.879 . . . . 0.0 110.57 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -76.71 -53.56 7.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.173 -0.955 . . . . 0.0 110.025 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -74.79 -31.07 61.63 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.452 -0.78 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' ALA . . . . . . . . . . . . . . . -52.2 -26.19 11.01 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.363 -0.836 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' SER . . . . . . . . . . . . . 1.2 t -66.55 -29.74 69.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 109.945 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.726 ' O ' ' HD1' ' A' ' 672' ' ' TRP . 66.1 tp -80.0 -58.16 3.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.436 -0.79 . . . . 0.0 110.116 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -45.0 -28.68 0.71 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.112 -0.993 . . . . 0.0 109.786 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -40.45 96.88 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.726 ' HD1' ' O ' ' A' ' 669' ' ' LEU . 0.0 OUTLIER -67.07 -28.57 68.31 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.024 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' A' ' 672' ' ' TRP . 0.1 OUTLIER -73.86 63.22 0.89 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.166 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.73 -13.19 53.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.875 . . . . 0.0 109.82 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 1.014 ' O ' ' CD1' ' A' ' 678' ' ' TRP . 1.6 mp -58.86 -44.67 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.512 -0.743 . . . . 0.0 110.008 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 679' ' ' LEU . 68.3 p -45.94 -24.58 0.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.533 -1.355 . . . . 0.0 109.558 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.765 ' O ' ' CD1' ' A' ' 680' ' ' TRP . 1.5 t-20 -68.63 -39.9 80.57 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' TRP . . . . . 1.014 ' CD1' ' O ' ' A' ' 675' ' ' ILE . 0.1 OUTLIER -55.37 -23.34 23.77 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 122.06 0.933 . . . . 0.0 108.613 177.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' LEU . . . . . 0.708 ' N ' ' CD1' ' A' ' 678' ' ' TRP . 11.1 tp -51.11 -14.66 0.25 Allowed 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.934 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' TRP . . . . . 0.765 ' CD1' ' O ' ' A' ' 677' ' ' ASN . 2.3 p-90 -63.23 -14.41 48.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.305 -1.497 . . . . 0.0 110.096 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 679' ' ' LEU . 0.0 OUTLIER -69.99 -9.15 54.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.321 -0.862 . . . . 0.0 111.241 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.456 HG13 ' CE1' ' A' ' 681' ' ' TYR . 4.8 mt -80.98 -60.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.012 -1.055 . . . . 0.0 109.66 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.191 179.988 . . . . . . . . 0 0 . 1 stop_ save_