data_5tbr_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 5tbr _Structure_validation_residue.Date_analyzed 2017-06-23 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.318 -0.864 . . . . 0.0 109.566 179.881 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.6 mttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.26 -25.13 36.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.445 0 O-C-N 121.403 -0.811 . . . . 0.0 109.134 179.65 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.62 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 4.1 m-85 . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -67.08 -56.44 10.04 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.336 -0.853 . . . . 0.0 109.293 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.674 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 33.1 mmt180 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 120.966 -1.084 . . . . 0.0 109.698 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 16' ' ' LEU . 1.8 tt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.81 60.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.776 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.78 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -72.17 -8.35 54.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.157 -0.965 . . . . 0.0 109.55 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.2 t80 . . . . . 0 N--CA 1.486 1.346 0 O-C-N 121.12 -0.988 . . . . 0.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.594 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.568 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtmp? . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.101 0.477 . . . . 0.0 109.754 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -50.67 10.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.028 -1.045 . . . . 0.0 109.144 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.867 . . . . 0.0 109.235 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 6.3 t80 . . . . . 0 N--CA 1.514 2.748 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.78 11.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.323 -0.861 . . . . 0.0 109.437 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 O-C-N 120.946 -1.097 . . . . 0.0 109.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 6.2 tt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.95 76.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.777 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.761 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -68.98 -7.03 31.47 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.205 -0.934 . . . . 0.0 109.519 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG3' ' HZ3' ' A' ' 8' ' ' LYS . 5.6 mptp? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.116 0.484 . . . . 0.0 109.713 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.17 -55.49 5.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.054 -1.029 . . . . 0.0 109.869 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.761 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.515 2.801 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -64.99 -54.98 21.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.641 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 15.4 mmt85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.016 -1.053 . . . . 0.0 109.627 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' ALA . 5.1 tt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.195 0.521 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.78 64.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.962 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.767 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -67.19 -17.99 65.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.291 -0.88 . . . . 0.0 109.372 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 O-C-N 121.146 -0.971 . . . . 0.0 109.379 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 mttt . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.31 -54.45 5.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.123 -0.986 . . . . 0.0 109.096 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.713 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.513 2.719 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -56.02 25.64 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.244 -0.91 . . . . 0.0 108.776 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.632 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.5 mmt85 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.0 109.625 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 6.6 tt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -29.89 61.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.317 -0.864 . . . . 0.0 109.797 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.783 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -77.41 8.39 4.25 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.31 -0.869 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.652 ' C ' ' CD2' ' A' ' 19' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 O-C-N 121.243 -0.911 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.18 -0.95 . . . . 0.0 109.362 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.667 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.1 mmtp . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.42 -34.9 31.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.744 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.354 -0.841 . . . . 0.0 108.984 179.452 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.667 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 8.9 m-85 . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -66.05 -55.79 14.82 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.383 -0.823 . . . . 0.0 109.074 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.8 mmp_? . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.096 -1.002 . . . . 0.0 110.016 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' ALA . 4.3 tt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -29.59 70.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.485 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.769 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -68.7 -10.21 54.97 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.314 -0.866 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 1.7 t80 . . . . . 0 N--CA 1.487 1.375 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 109.483 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.2 mptm? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.08 -40.91 30.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.409 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 109.373 179.877 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 5.6 m-85 . . . . . 0 N--CA 1.502 2.158 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.39 -57.21 7.0 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 119.541 -0.864 . . . . 0.0 109.505 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.682 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 9.7 mpt_? . . . . . 0 N--CA 1.494 1.764 0 O-C-N 120.958 -1.089 . . . . 0.0 110.163 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 6.5 tt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.287 0.565 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.36 62.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 0.0 109.941 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.755 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.36 14.39 5.44 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.133 -0.979 . . . . 0.0 109.619 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.1 t80 . . . . . 0 N--CA 1.487 1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 109.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 O-C-N 121.221 -0.924 . . . . 0.0 109.344 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.49 -55.68 4.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.049 -1.032 . . . . 0.0 109.662 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.9 . . . . 0.0 109.918 -179.716 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 14.6 t80 . . . . . 0 N--CA 1.513 2.703 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -61.01 -56.35 22.06 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.904 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.564 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 15.4 mmt85 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' ALA . 3.8 tt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.43 -27.62 34.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.59 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.792 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.0 OUTLIER -80.21 1.05 29.91 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.665 -179.651 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.14 -0.975 . . . . 0.0 109.532 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 6.4 mp . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.336 0.588 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 109.692 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.613 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.8 mptm? . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.17 28.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.014 -1.054 . . . . 0.0 109.006 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.482 ' HB1' HH22 ' A' ' 14' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.315 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 2.1 m-30 . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.47 13.39 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.684 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 10.3 mpt_? . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.129 -0.982 . . . . 0.0 109.956 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' N ' HD21 ' A' ' 16' ' ' LEU . 2.3 mm? . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.83 -29.95 29.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.895 . . . . 0.0 109.792 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.785 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -86.96 15.78 5.6 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.169 -0.957 . . . . 0.0 109.439 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 O-C-N 121.265 -0.897 . . . . 0.0 109.296 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.217 -0.927 . . . . 0.0 109.221 179.807 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 64.8 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.39 -36.56 26.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.062 -1.024 . . . . 0.0 108.551 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.424 0 O-C-N 121.355 -0.841 . . . . 0.0 108.815 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 11.1 m-85 . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.09 22.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.202 -0.936 . . . . 0.0 108.552 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 9.7 mmt85 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.173 -0.955 . . . . 0.0 109.676 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.44 -27.66 16.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.452 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.768 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -84.82 15.87 3.66 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.26 -0.9 . . . . 0.0 109.683 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.305 -1.364 0 O-C-N 121.211 -0.931 . . . . 0.0 109.407 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.607 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 5.8 mp . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.329 -0.857 . . . . 0.0 109.179 179.707 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 54.7 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.78 -31.6 20.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.985 -1.072 . . . . 0.0 108.799 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.36 -0.838 . . . . 0.0 108.93 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CZ ' ' O ' ' A' ' 8' ' ' LYS . 3.5 m-30 . . . . . 0 N--CA 1.5 2.041 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.52 -56.91 9.77 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.089 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.669 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 26.0 mmt-85 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.042 -1.036 . . . . 0.0 109.734 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.21 -29.32 63.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.325 -0.859 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.782 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -82.28 14.42 2.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.176 -0.952 . . . . 0.0 109.41 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 2.8 t80 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.258 -0.901 . . . . 0.0 109.473 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.321 -0.862 . . . . 0.0 109.613 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -50.1 24.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.019 -1.051 . . . . 0.0 109.291 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 7.5 t80 . . . . . 0 N--CA 1.512 2.646 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -59.57 -56.57 20.31 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.682 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 14.1 mmt85 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.116 -0.99 . . . . 0.0 109.201 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 6.8 tt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.75 62.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.0 109.667 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.78 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.29 5.54 22.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.194 -0.941 . . . . 0.0 109.512 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.524 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 1.5 t80 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 121.202 -0.937 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.248 -0.907 . . . . 0.0 109.686 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 1.4 mptm? . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.6 37.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.073 -1.017 . . . . 0.0 109.378 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.367 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.54 ' N ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 m-30 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.68 -57.14 6.9 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.976 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.577 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.004 -1.06 . . . . 0.0 110.262 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.5 tt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.91 -26.23 34.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 0.0 109.651 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.792 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.0 OUTLIER -87.55 7.43 29.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.283 -0.885 . . . . 0.0 109.975 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 109.349 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.952 0.406 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.07 -55.05 5.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.869 -1.144 . . . . 0.0 109.408 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.525 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.476 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 33.5 t80 . . . . . 0 N--CA 1.514 2.749 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.38 -54.9 22.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -0.888 . . . . 0.0 109.717 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.611 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 24.1 mmt-85 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.476 HD23 ' CZ ' ' A' ' 12' ' ' PHE . 4.5 mm? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.41 33.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.447 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.773 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.76 11.67 10.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.652 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.377 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.672 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.268 -0.895 . . . . 0.0 109.244 179.735 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.711 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.7 mttp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 -24.56 31.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 108.949 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.418 0 O-C-N 121.371 -0.831 . . . . 0.0 108.978 179.539 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.711 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 6.0 m-85 . . . . . 0 N--CA 1.501 2.119 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.31 15.64 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 119.528 -0.869 . . . . 0.0 108.939 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.686 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.2 mmm180 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 5.3 tt . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.27 65.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 0.0 109.649 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.719 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.59 14.76 3.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 109.44 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 O-C-N 121.222 -0.924 . . . . 0.0 109.385 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.675 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.29 -0.881 . . . . 0.0 109.459 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.911 0.386 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.97 59.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.899 -1.125 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.222 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.8 t80 . . . . . 0 N--CA 1.514 2.73 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -64.73 -56.58 12.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.342 -0.849 . . . . 0.0 109.372 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.573 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 120.954 -1.091 . . . . 0.0 109.686 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.9 tt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.62 -31.44 36.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.834 . . . . 0.0 109.899 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.795 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -67.83 -18.29 64.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.175 -0.953 . . . . 0.0 109.411 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.0 109.434 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.203 -0.935 . . . . 0.0 109.456 179.772 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.701 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 95.4 mttt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 -31.52 19.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.941 -1.099 . . . . 0.0 109.065 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.094 179.757 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.701 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 4.7 m-85 . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.56 -56.39 11.01 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.414 -0.804 . . . . 0.0 108.927 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.693 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.0 mmt-85 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 16' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.231 0.539 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.72 62.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.693 ' ND2' ' O ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -77.09 7.57 4.85 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 12.4 t80 . . . . . 0 C--N 1.305 -1.35 0 O-C-N 121.263 -0.898 . . . . 0.0 109.493 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.939 0 O-C-N 121.203 -0.935 . . . . 0.0 109.819 -179.811 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 46.8 mttp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.72 -34.42 40.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 109.081 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.099 179.731 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.5 m-30 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -67.1 -56.58 9.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.526 -0.734 . . . . 0.0 109.352 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.649 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 5.5 mmp_? . . . . . 0 N--CA 1.49 1.563 0 O-C-N 120.977 -1.077 . . . . 0.0 109.506 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.17 0.51 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.73 -28.93 55.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.164 -0.96 . . . . 0.0 109.934 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.808 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -73.77 -20.36 60.51 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.137 -0.977 . . . . 0.0 109.491 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.236 -0.915 . . . . 0.0 109.655 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mttm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.936 0.398 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.7 -53.69 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.912 -1.117 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.503 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.7 t80 . . . . . 0 N--CA 1.513 2.684 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.79 -54.77 33.92 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.386 -0.821 . . . . 0.0 109.212 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.691 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.1 mmm180 . . . . . 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.373 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.47 -33.91 47.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.356 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.707 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.2 OUTLIER -67.02 -10.65 52.08 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.677 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 O-C-N 121.25 -0.906 . . . . 0.0 109.393 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.125 0.488 . . . . 0.0 109.749 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.018 0 O-C-N 121.063 -1.023 . . . . 0.0 109.81 -179.595 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.925 0.393 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.45 -46.42 17.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.002 -1.061 . . . . 0.0 109.33 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 109.702 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 7.2 t80 . . . . . 0 N--CA 1.513 2.702 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -64.17 -56.72 12.79 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.293 -0.879 . . . . 0.0 109.478 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.537 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 12.0 mpt_? . . . . . 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 109.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.576 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.7 tt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.344 0.592 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -26.63 54.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.915 . . . . 0.0 109.6 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.78 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.0 OUTLIER -87.81 16.36 5.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.365 -0.834 . . . . 0.0 109.689 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.304 -1.394 0 O-C-N 121.126 -0.984 . . . . 0.0 109.237 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 109.164 179.693 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 69.0 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.8 57.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.033 -1.042 . . . . 0.0 108.742 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.458 -0.776 . . . . 0.0 109.168 179.663 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.6 m-30 . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.78 -57.1 6.08 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.613 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 O-C-N 120.915 -1.116 . . . . 0.0 110.031 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 7.8 tt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 -32.13 51.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.945 . . . . 0.0 109.682 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.69 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -78.66 12.85 1.86 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.237 -0.915 . . . . 0.0 109.489 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.955 . . . . 0.0 109.039 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -110.04 69.31 0.69 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -1.095 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.694 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 4.9 mp -74.4 -22.51 59.13 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.88 -36.0 20.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.318 -0.864 . . . . 0.0 109.566 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.6 mttp -79.74 -40.67 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.087 -1.008 . . . . 0.0 109.377 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.26 -25.13 36.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.29 68.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.403 -0.811 . . . . 0.0 109.134 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.487 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.62 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 4.1 m-85 -47.31 -28.7 2.1 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.08 -56.44 10.04 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.336 -0.853 . . . . 0.0 109.293 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.674 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 33.1 mmt180 -45.82 -43.33 13.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.966 -1.084 . . . . 0.0 109.698 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.658 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 1.8 tt -70.6 -33.09 70.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.308 -0.87 . . . . 0.0 109.474 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.81 60.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.776 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.78 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -72.17 -8.35 54.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.157 -0.965 . . . . 0.0 109.55 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.2 t80 -99.9 -17.09 17.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.12 -0.988 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.917 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -122.38 44.95 2.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.293 -1.122 . . . . 0.0 109.544 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.735 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.6 -37.83 65.3 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -35.9 75.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.594 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.568 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtmp? -79.17 -26.96 42.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.903 -1.123 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -50.67 10.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.028 -1.045 . . . . 0.0 109.144 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.5 77.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.867 . . . . 0.0 109.235 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.715 ' CD2' ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.695 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 6.3 t80 -44.58 -30.55 0.92 Allowed 'General case' 0 N--CA 1.514 2.748 0 C-N-CA 118.437 -1.305 . . . . 0.0 107.636 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.62 -56.78 11.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.323 -0.861 . . . . 0.0 109.437 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -45.95 -40.26 10.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.946 -1.097 . . . . 0.0 109.937 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.636 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 6.2 tt -52.27 -40.13 61.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.3 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.95 76.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.777 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.761 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -68.98 -7.03 31.47 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.205 -0.934 . . . . 0.0 109.519 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -88.8 -28.69 20.28 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -172.62 -100.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -1.118 . . . . 0.0 109.634 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.425 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.4 tp -81.12 -21.75 39.61 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.08 23.42 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG3' ' HZ3' ' A' ' 8' ' ' LYS . 5.6 mptp? -79.54 -34.29 41.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.937 -1.102 . . . . 0.0 109.713 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.17 -55.49 5.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.054 -1.029 . . . . 0.0 109.869 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -30.25 63.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.602 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 36.0 t80 -44.18 -31.36 0.95 Allowed 'General case' 0 N--CA 1.515 2.801 0 C-N-CA 118.186 -1.406 . . . . 0.0 107.643 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.99 -54.98 21.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.641 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 15.4 mmt85 -45.68 -43.0 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.016 -1.053 . . . . 0.0 109.627 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.584 OE11 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' ALA . 5.1 tt -73.67 -34.79 65.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.249 -0.907 . . . . 0.0 109.746 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.78 64.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.962 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.767 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -67.19 -17.99 65.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.291 -0.88 . . . . 0.0 109.372 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -102.61 -19.74 14.71 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.146 -0.971 . . . . 0.0 109.379 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.765 -1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 46.8 46.35 15.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.257 -1.143 . . . . 0.0 109.573 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -77.96 -25.93 48.48 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.127 -0.983 . . . . 0.0 109.136 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 -24.8 38.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -77.6 -30.53 52.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.305 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.31 -54.45 5.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.123 -0.986 . . . . 0.0 109.096 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.713 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.626 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.589 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 24.2 t80 -44.54 -31.9 1.26 Allowed 'General case' 0 N--CA 1.513 2.719 0 C-N-CA 118.033 -1.467 . . . . 0.0 107.569 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -61.12 -56.02 25.64 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.244 -0.91 . . . . 0.0 108.776 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.632 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.5 mmt85 -45.68 -43.12 12.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.0 109.625 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.54 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 6.6 tt -63.69 -35.46 80.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.434 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -29.89 61.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.317 -0.864 . . . . 0.0 109.797 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.783 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -77.41 8.39 4.25 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.31 -0.869 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.652 ' C ' ' CD2' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -95.22 -56.27 2.78 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.243 -0.911 . . . . 0.0 109.224 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.832 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -166.84 -2.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.279 -1.13 . . . . 0.0 109.267 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.741 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.46 -36.71 63.34 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.17 73.59 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.18 -0.95 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.667 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.1 mmtp -75.19 -27.52 59.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.924 -1.11 . . . . 0.0 109.184 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.42 -34.9 31.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.744 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.41 70.71 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.354 -0.841 . . . . 0.0 108.984 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.691 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.691 ' CD1' OE22 ' A' ' 11' ' ' CGU . 8.9 m-85 -44.89 -29.6 0.84 Allowed 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.47 -1.292 . . . . 0.0 107.556 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -66.05 -55.79 14.82 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.383 -0.823 . . . . 0.0 109.074 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.8 mmp_? -45.79 -43.84 13.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.096 -1.002 . . . . 0.0 110.016 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.467 ' CD2' ' N ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' ALA . 4.3 tt -67.75 -39.09 84.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.114 -0.991 . . . . 0.0 109.318 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -29.59 70.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.485 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.769 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -68.7 -10.21 54.97 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.314 -0.866 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 1.7 t80 -89.62 -28.06 19.77 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.92 -167.01 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -1.188 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.724 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 tp -79.43 -24.53 42.42 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.67 -26.54 27.69 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 109.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.2 mptm? -77.58 -36.16 52.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.035 -1.041 . . . . 0.0 109.68 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.08 -40.91 30.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.409 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.32 -32.74 68.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 109.373 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.595 OE21 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.595 ' CD1' OE21 ' A' ' 11' ' ' CGU . 5.6 m-85 -47.19 -27.67 1.56 Allowed 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 118.683 -1.207 . . . . 0.0 107.994 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.39 -57.21 7.0 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 119.541 -0.864 . . . . 0.0 109.505 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.682 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 9.7 mpt_? -45.93 -38.51 7.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.958 -1.089 . . . . 0.0 110.163 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.516 ' CD1' OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 6.5 tt -50.58 -34.02 24.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.747 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.36 62.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 0.0 109.941 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.755 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.36 14.39 5.44 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.133 -0.979 . . . . 0.0 109.619 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.1 t80 -94.63 -9.71 34.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 109.385 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.815 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.565 ' OE2' ' O ' ' A' ' 2' ' ' GLU . 2.0 pp20? -77.65 -11.52 59.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -1.129 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -74.1 -26.63 60.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.0 108.65 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.38 -38.48 34.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.221 -0.924 . . . . 0.0 109.344 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -81.67 -26.62 34.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.011 . . . . 0.0 109.75 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.49 -55.68 4.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.049 -1.032 . . . . 0.0 109.662 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.83 75.43 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.9 . . . . 0.0 109.918 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.567 OE21 OE12 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CGU . 14.6 t80 -44.84 -31.17 1.14 Allowed 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 118.146 -1.421 . . . . 0.0 107.424 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -61.01 -56.35 22.06 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.904 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.564 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 15.4 mmt85 -45.97 -44.6 15.07 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.398 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.567 OE12 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' ALA . 3.8 tt -72.05 -29.09 63.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.321 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.43 -27.62 34.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.59 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.792 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.0 OUTLIER -80.21 1.05 29.91 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.665 -179.651 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.54 -51.47 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.14 -0.975 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.534 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 7.4 mp0 -80.74 37.18 0.41 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -1.166 . . . . 0.0 109.551 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.623 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 6.4 mp -74.6 -24.91 58.95 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.417 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.88 -30.94 24.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 109.692 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.613 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.8 mptm? -78.01 -36.59 48.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.973 -1.079 . . . . 0.0 109.397 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.17 28.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.014 -1.054 . . . . 0.0 109.006 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' HB1' HH22 ' A' ' 14' ' ' ARG . . . -64.0 -27.04 68.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.315 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.497 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 2.1 m-30 -46.56 -29.02 1.61 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.77 -56.47 13.39 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.684 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 10.3 mpt_? -45.73 -37.17 5.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.129 -0.982 . . . . 0.0 109.956 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.549 ' CD2' ' N ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' N ' HD21 ' A' ' 16' ' ' LEU . 2.3 mm? -53.89 -28.24 35.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.602 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.83 -29.95 29.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.895 . . . . 0.0 109.792 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.785 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -86.96 15.78 5.6 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.169 -0.957 . . . . 0.0 109.439 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -94.32 -42.34 8.96 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.265 -0.897 . . . . 0.0 109.296 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' H2 ' ' H ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 24.7 pt-20 -133.86 20.08 3.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -1.077 . . . . 0.0 109.126 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.755 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 5.4 mp -78.2 -23.67 47.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.59 -0.694 . . . . 0.0 109.307 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.36 -27.56 27.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.217 -0.927 . . . . 0.0 109.221 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 64.8 mttm -79.09 -31.51 44.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.939 -1.101 . . . . 0.0 109.429 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.39 -36.56 26.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.062 -1.024 . . . . 0.0 108.551 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -32.72 70.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.355 -0.841 . . . . 0.0 108.815 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.699 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.699 ' CD1' OE22 ' A' ' 11' ' ' CGU . 11.1 m-85 -45.01 -29.78 0.91 Allowed 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 118.539 -1.264 . . . . 0.0 107.598 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -61.92 -56.09 22.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.202 -0.936 . . . . 0.0 108.552 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 9.7 mmt85 -45.93 -44.08 14.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.173 -0.955 . . . . 0.0 109.676 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.642 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.86 -54.67 31.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.44 -27.66 16.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.452 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.768 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -84.82 15.87 3.66 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.26 -0.9 . . . . 0.0 109.683 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -82.86 -22.24 34.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.211 -0.931 . . . . 0.0 109.407 179.759 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -145.61 44.62 1.29 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -1.135 . . . . 0.0 109.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.721 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.607 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 5.8 mp -76.73 -23.74 53.05 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.95 -35.42 25.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.329 -0.857 . . . . 0.0 109.179 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 54.7 mttp -80.55 -29.08 37.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.097 -1.002 . . . . 0.0 109.623 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.78 -31.6 20.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.985 -1.072 . . . . 0.0 108.799 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.36 69.91 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.36 -0.838 . . . . 0.0 108.93 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.534 OE22 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CZ ' ' O ' ' A' ' 8' ' ' LYS . 3.5 m-30 -46.27 -28.36 1.27 Allowed 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -65.52 -56.91 9.77 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.089 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.669 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 26.0 mmt-85 -46.18 -40.66 11.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.042 -1.036 . . . . 0.0 109.734 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.674 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -37.96 82.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.261 -0.899 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.21 -29.32 63.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.325 -0.859 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.782 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -82.28 14.42 2.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.176 -0.952 . . . . 0.0 109.41 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 2.8 t80 -86.42 -23.69 25.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.258 -0.901 . . . . 0.0 109.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.889 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 6.6 mp0 40.32 37.36 0.42 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -1.184 . . . . 0.0 109.441 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.704 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -76.88 -23.24 52.61 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.36 -36.59 19.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.321 -0.862 . . . . 0.0 109.613 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.74 -31.24 28.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.77 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -50.1 24.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.019 -1.051 . . . . 0.0 109.291 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.56 75.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.697 ' CD2' ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.673 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 7.5 t80 -44.63 -30.75 0.97 Allowed 'General case' 0 N--CA 1.512 2.646 0 C-N-CA 117.947 -1.501 . . . . 0.0 107.057 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -59.57 -56.57 20.31 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.682 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 14.1 mmt85 -46.27 -44.7 16.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -0.99 . . . . 0.0 109.201 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.554 OE11 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 6.8 tt -53.58 -39.26 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.75 62.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.0 109.667 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.78 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.29 5.54 22.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.194 -0.941 . . . . 0.0 109.512 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.524 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 1.5 t80 -88.32 -32.99 18.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.202 -0.937 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -137.48 -8.85 1.69 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.159 -1.201 . . . . 0.0 109.455 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.737 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.62 -30.76 64.61 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.97 -36.55 56.4 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.248 -0.907 . . . . 0.0 109.686 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 1.4 mptm? -75.27 -35.21 61.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.981 -1.074 . . . . 0.0 109.507 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.6 37.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.073 -1.017 . . . . 0.0 109.378 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.23 -29.01 68.54 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.367 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.487 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.54 ' N ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 m-30 -45.02 -28.58 0.71 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.68 -57.14 6.9 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.976 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.577 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -46.12 -31.7 2.52 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.004 -1.06 . . . . 0.0 110.262 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.4 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.5 tt -61.86 -52.43 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 109.386 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.91 -26.23 34.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 0.0 109.651 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.792 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.0 OUTLIER -87.55 7.43 29.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.283 -0.885 . . . . 0.0 109.975 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -86.27 -22.45 26.81 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 109.349 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 3' ' ' CGU . 32.9 tp10 -125.99 161.11 28.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -1.091 . . . . 0.0 109.41 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.427 ' N ' ' HG3' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.523 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 tp -76.33 -35.23 58.87 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -31.65 66.86 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -83.87 -27.05 28.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.091 . . . . 0.0 110.37 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.07 -55.05 5.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.869 -1.144 . . . . 0.0 109.408 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.21 78.05 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.525 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.68 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.599 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 33.5 t80 -44.96 -31.67 1.36 Allowed 'General case' 0 N--CA 1.514 2.749 0 C-N-CA 118.303 -1.359 . . . . 0.0 107.692 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -65.38 -54.9 22.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -0.888 . . . . 0.0 109.717 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.611 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 24.1 mmt-85 -45.71 -43.97 13.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.565 OE12 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 HD23 ' CZ ' ' A' ' 12' ' ' PHE . 4.5 mm? -51.63 -24.08 5.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 109.36 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' CGU . . . -81.84 -28.41 33.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.773 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.76 11.67 10.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.652 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -90.54 -29.52 17.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -81.06 79.11 7.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -1.172 . . . . 0.0 109.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.752 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.672 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -77.74 -22.76 49.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.16 -35.35 23.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.268 -0.895 . . . . 0.0 109.244 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.711 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.7 mttp -79.73 -30.81 41.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 -24.56 31.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 108.949 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.48 76.54 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.371 -0.831 . . . . 0.0 108.978 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.592 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.711 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 6.0 m-85 -46.29 -29.43 1.63 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 118.546 -1.262 . . . . 0.0 107.838 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.16 -56.31 15.64 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 119.528 -0.869 . . . . 0.0 108.939 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.686 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.2 mmm180 -46.26 -41.65 13.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.455 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 5.3 tt -51.61 -33.17 31.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.137 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.27 65.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 0.0 109.649 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.719 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.59 14.76 3.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 109.44 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -98.8 -28.97 13.25 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.222 -0.924 . . . . 0.0 109.385 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -150.31 -38.38 0.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.321 -1.105 . . . . 0.0 109.586 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.719 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.675 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -74.4 -22.95 58.92 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.634 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.27 -36.56 19.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.29 -0.881 . . . . 0.0 109.459 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -83.33 -29.83 27.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.014 -1.054 . . . . 0.0 109.965 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.97 59.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.899 -1.125 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.13 -35.81 82.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.222 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.706 ' CD2' ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.685 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 33.8 t80 -44.57 -30.13 0.85 Allowed 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 118.346 -1.342 . . . . 0.0 107.684 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.73 -56.58 12.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.342 -0.849 . . . . 0.0 109.372 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.573 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -45.98 -40.77 10.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.954 -1.091 . . . . 0.0 109.686 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.575 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.9 tt -60.95 -49.71 76.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.62 -31.44 36.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.834 . . . . 0.0 109.899 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.795 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -67.83 -18.29 64.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.175 -0.953 . . . . 0.0 109.411 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -85.41 -40.88 15.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.0 109.434 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 3' ' ' CGU . 42.0 tp10 -170.47 -100.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -1.097 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.428 OE11 OE21 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.761 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.95 -27.64 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.84 -38.06 33.65 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.203 -0.935 . . . . 0.0 109.456 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.701 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 95.4 mttt -78.2 -33.95 49.73 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.901 -1.125 . . . . 0.0 109.506 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 -31.52 19.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.941 -1.099 . . . . 0.0 109.065 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.27 -23.92 63.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.094 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.545 OE22 OE12 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.701 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 4.7 m-85 -45.47 -29.77 1.22 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -66.56 -56.39 11.01 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.414 -0.804 . . . . 0.0 108.927 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.693 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.0 mmt-85 -45.51 -34.98 3.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 110.019 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.436 ' CD2' ' N ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 16' ' ' LEU . 4.1 mm? -47.26 -29.67 2.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.198 -0.939 . . . . 0.0 109.613 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.72 62.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.693 ' ND2' ' O ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -77.09 7.57 4.85 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 12.4 t80 -88.31 -3.81 58.79 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.263 -0.898 . . . . 0.0 109.493 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -105.38 -66.66 0.96 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -1.101 . . . . 0.0 109.174 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.756 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.39 -36.03 60.94 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.05 65.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.203 -0.935 . . . . 0.0 109.819 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 46.8 mttp -75.23 -31.59 60.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.871 -1.143 . . . . 0.0 109.525 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.72 -34.42 40.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 109.081 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.08 71.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.099 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.568 OE21 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.5 m-30 -49.51 -27.54 4.46 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.1 -56.58 9.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.526 -0.734 . . . . 0.0 109.352 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.649 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 5.5 mmp_? -45.69 -42.84 12.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.977 -1.077 . . . . 0.0 109.506 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.568 OE11 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tt -56.99 -35.59 69.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 109.696 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.73 -28.93 55.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.164 -0.96 . . . . 0.0 109.934 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.808 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.1 OUTLIER -73.77 -20.36 60.51 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.137 -0.977 . . . . 0.0 109.491 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -85.36 -35.94 21.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -0.915 . . . . 0.0 109.655 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.758 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -124.75 35.82 4.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -1.159 . . . . 0.0 109.293 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.649 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 5.9 mp -75.2 -21.66 58.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.14 -36.84 19.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -82.5 -34.65 27.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.951 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.7 -53.69 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.912 -1.117 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.96 67.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.503 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.705 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.67 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 47.7 t80 -44.39 -31.03 0.94 Allowed 'General case' 0 N--CA 1.513 2.684 0 C-N-CA 118.023 -1.471 . . . . 0.0 107.325 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -62.79 -54.77 33.92 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.386 -0.821 . . . . 0.0 109.212 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.691 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.1 mmm180 -45.37 -44.99 12.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.494 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.59 -24.45 8.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.262 -0.899 . . . . 0.0 109.421 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.47 -33.91 47.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.356 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.707 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.2 OUTLIER -67.02 -10.65 52.08 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.677 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -102.43 -11.5 18.55 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.25 -0.906 . . . . 0.0 109.393 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -138.56 -179.89 6.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -1.122 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -60.98 -38.8 87.28 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.703 -0.623 . . . . 0.0 109.749 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -28.34 67.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.063 -1.023 . . . . 0.0 109.81 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -80.12 -27.02 39.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.081 . . . . 0.0 110.078 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.45 -46.42 17.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.002 -1.061 . . . . 0.0 109.33 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.47 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 109.702 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.696 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.654 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 7.2 t80 -44.78 -31.13 1.11 Allowed 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 118.334 -1.346 . . . . 0.0 107.796 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.17 -56.72 12.79 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.293 -0.879 . . . . 0.0 109.478 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 12.0 mpt_? -46.01 -39.05 8.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 109.876 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.622 ' CD1' OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.576 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 5.7 tt -64.16 -54.01 40.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.452 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -26.63 54.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.915 . . . . 0.0 109.6 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.78 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.0 OUTLIER -87.81 16.36 5.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.365 -0.834 . . . . 0.0 109.689 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -81.54 -43.23 19.04 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.126 -0.984 . . . . 0.0 109.237 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.945 -1.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -140.26 9.15 2.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.334 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.753 ' H ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 5.5 mp -73.23 -22.91 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.56 -37.81 24.59 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 109.164 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 69.0 mttt -79.23 -34.69 42.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.032 -1.043 . . . . 0.0 109.679 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.8 57.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.033 -1.042 . . . . 0.0 108.742 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -31.43 72.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.458 -0.776 . . . . 0.0 109.168 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CGU . . . . . 0.583 OE22 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.6 m-30 -51.23 -28.2 10.98 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -68.78 -57.1 6.08 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.613 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -45.7 -36.59 5.05 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.915 -1.116 . . . . 0.0 110.031 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.583 OE11 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 7.8 tt -62.56 -30.8 71.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.189 -0.944 . . . . 0.0 109.491 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 -32.13 51.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.945 . . . . 0.0 109.682 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.69 ' N ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -78.66 12.85 1.86 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.237 -0.915 . . . . 0.0 109.489 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 20' ' ' NH2 . 1.0 OUTLIER -77.24 -27.22 53.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.955 . . . . 0.0 109.039 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.56 ' N ' ' CD1' ' A' ' 19' ' ' TYR . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.088 -1.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.827 ' N ' HD12 ' A' ' 5' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.318 -0.864 . . . . 0.0 109.566 179.881 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.6 mttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.26 -25.13 36.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.445 0 O-C-N 121.403 -0.811 . . . . 0.0 109.134 179.65 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.62 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 4.1 m-85 . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -67.08 -56.44 10.04 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.336 -0.853 . . . . 0.0 109.293 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 33.1 mmt180 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 120.966 -1.084 . . . . 0.0 109.698 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.81 60.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.776 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.583 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -72.17 -8.35 54.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.157 -0.965 . . . . 0.0 109.55 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.2 t80 . . . . . 0 N--CA 1.486 1.346 0 O-C-N 121.12 -0.988 . . . . 0.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.0 tp . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.594 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.568 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtmp? . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.101 0.477 . . . . 0.0 109.754 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -50.67 10.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.028 -1.045 . . . . 0.0 109.144 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.867 . . . . 0.0 109.235 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 6.3 t80 . . . . . 0 N--CA 1.514 2.748 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.78 11.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.323 -0.861 . . . . 0.0 109.437 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.531 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 O-C-N 120.946 -1.097 . . . . 0.0 109.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.2 tt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.95 76.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.777 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.606 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -68.98 -7.03 31.47 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.205 -0.934 . . . . 0.0 109.519 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.116 0.484 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.17 -55.49 5.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.054 -1.029 . . . . 0.0 109.869 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.761 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CE2' HD12 ' A' ' 16' ' ' LEU . 36.0 t80 . . . . . 0 N--CA 1.515 2.801 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -64.99 -54.98 21.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.479 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 15.4 mmt85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.016 -1.053 . . . . 0.0 109.627 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 16' ' ' LEU . 5.1 tt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.195 0.521 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.78 64.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.962 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.602 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -67.19 -17.99 65.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.291 -0.88 . . . . 0.0 109.372 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 O-C-N 121.146 -0.971 . . . . 0.0 109.379 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 mttt . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.31 -54.45 5.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.123 -0.986 . . . . 0.0 109.096 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.713 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.513 2.719 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -56.02 25.64 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.244 -0.91 . . . . 0.0 108.776 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.482 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 11.5 mmt85 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.0 109.625 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.6 tt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -29.89 61.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.317 -0.864 . . . . 0.0 109.797 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.615 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -77.41 8.39 4.25 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.31 -0.869 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.652 ' C ' ' CD2' ' A' ' 19' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 O-C-N 121.243 -0.911 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.6 tp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.18 -0.95 . . . . 0.0 109.362 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.667 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.1 mmtp . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.42 -34.9 31.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.744 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.354 -0.841 . . . . 0.0 108.984 179.452 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.667 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 8.9 m-85 . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -66.05 -55.79 14.82 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.383 -0.823 . . . . 0.0 109.074 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.8 mmp_? . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.096 -1.002 . . . . 0.0 110.016 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.3 tt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -29.59 70.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.485 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.546 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -68.7 -10.21 54.97 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.314 -0.866 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 1.7 t80 . . . . . 0 N--CA 1.487 1.375 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 5' ' ' LEU . 8.7 tp . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 109.483 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.2 mptm? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.08 -40.91 30.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.409 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 109.373 179.877 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 5.6 m-85 . . . . . 0 N--CA 1.502 2.158 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.39 -57.21 7.0 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 119.541 -0.864 . . . . 0.0 109.505 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.532 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 9.7 mpt_? . . . . . 0 N--CA 1.494 1.764 0 O-C-N 120.958 -1.089 . . . . 0.0 110.163 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.877 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.5 tt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.287 0.565 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.36 62.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 0.0 109.941 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.6 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.36 14.39 5.44 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.133 -0.979 . . . . 0.0 109.619 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.1 t80 . . . . . 0 N--CA 1.487 1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 109.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.3 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 O-C-N 121.221 -0.924 . . . . 0.0 109.344 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.49 -55.68 4.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.049 -1.032 . . . . 0.0 109.662 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.9 . . . . 0.0 109.918 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 14.6 t80 . . . . . 0 N--CA 1.513 2.703 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -61.01 -56.35 22.06 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.904 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 14' ' ' ARG . 15.4 mmt85 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.934 HD23 ' O ' ' A' ' 16' ' ' LEU . 3.8 tt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.43 -27.62 34.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.59 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.615 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -80.21 1.05 29.91 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.665 -179.651 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.14 -0.975 . . . . 0.0 109.532 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.764 ' N ' HD12 ' A' ' 5' ' ' LEU . 6.4 mp . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.336 0.588 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 109.692 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.613 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.8 mptm? . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.17 28.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.014 -1.054 . . . . 0.0 109.006 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HB1' HH22 ' A' ' 14' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.315 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 2.1 m-30 . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.47 13.39 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 10.3 mpt_? . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.129 -0.982 . . . . 0.0 109.956 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 12' ' ' PHE . 2.3 mm? . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.83 -29.95 29.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.895 . . . . 0.0 109.792 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.609 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -86.96 15.78 5.6 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.169 -0.957 . . . . 0.0 109.439 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 O-C-N 121.265 -0.897 . . . . 0.0 109.296 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.779 ' N ' HD12 ' A' ' 5' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.217 -0.927 . . . . 0.0 109.221 179.807 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 64.8 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.39 -36.56 26.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.062 -1.024 . . . . 0.0 108.551 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.424 0 O-C-N 121.355 -0.841 . . . . 0.0 108.815 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 11.1 m-85 . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.09 22.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.202 -0.936 . . . . 0.0 108.552 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.173 -0.955 . . . . 0.0 109.676 179.5 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.44 -27.66 16.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.452 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.626 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -84.82 15.87 3.66 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.26 -0.9 . . . . 0.0 109.683 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.305 -1.364 0 O-C-N 121.211 -0.931 . . . . 0.0 109.407 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.799 ' N ' HD12 ' A' ' 5' ' ' LEU . 5.8 mp . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.329 -0.857 . . . . 0.0 109.179 179.707 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 54.7 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.78 -31.6 20.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.985 -1.072 . . . . 0.0 108.799 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.36 -0.838 . . . . 0.0 108.93 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CZ ' ' O ' ' A' ' 8' ' ' LYS . 3.5 m-30 . . . . . 0 N--CA 1.5 2.041 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.52 -56.91 9.77 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.089 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 26.0 mmt-85 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.042 -1.036 . . . . 0.0 109.734 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.21 -29.32 63.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.325 -0.859 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.6 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -82.28 14.42 2.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.176 -0.952 . . . . 0.0 109.41 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 2.8 t80 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.258 -0.901 . . . . 0.0 109.473 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.321 -0.862 . . . . 0.0 109.613 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -50.1 24.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.019 -1.051 . . . . 0.0 109.291 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 7.5 t80 . . . . . 0 N--CA 1.512 2.646 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -59.57 -56.57 20.31 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.53 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 14.1 mmt85 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.116 -0.99 . . . . 0.0 109.201 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.8 tt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.75 62.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.0 109.667 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.584 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.29 5.54 22.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.194 -0.941 . . . . 0.0 109.512 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.524 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 1.5 t80 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 121.202 -0.937 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.531 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.3 tp . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.248 -0.907 . . . . 0.0 109.686 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 1.4 mptm? . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.6 37.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.073 -1.017 . . . . 0.0 109.378 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.367 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.54 ' N ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 m-30 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.68 -57.14 6.9 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.976 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.648 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.004 -1.06 . . . . 0.0 110.262 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.74 ' C ' HD23 ' A' ' 16' ' ' LEU . 5.5 tt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.91 -26.23 34.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 0.0 109.651 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -87.55 7.43 29.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.283 -0.885 . . . . 0.0 109.975 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 109.349 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.6 tp . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.952 0.406 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.07 -55.05 5.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.869 -1.144 . . . . 0.0 109.408 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.525 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CZ ' HD21 ' A' ' 16' ' ' LEU . 33.5 t80 . . . . . 0 N--CA 1.514 2.749 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.38 -54.9 22.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -0.888 . . . . 0.0 109.717 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 24.1 mmt-85 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 4.5 mm? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.41 33.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.447 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.605 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.76 11.67 10.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.652 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.377 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.672 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.268 -0.895 . . . . 0.0 109.244 179.735 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.711 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.7 mttp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 -24.56 31.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 108.949 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.418 0 O-C-N 121.371 -0.831 . . . . 0.0 108.978 179.539 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.711 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 6.0 m-85 . . . . . 0 N--CA 1.501 2.119 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.31 15.64 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 119.528 -0.869 . . . . 0.0 108.939 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.536 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 11.2 mmm180 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 16' ' ' LEU . 5.3 tt . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.27 65.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 0.0 109.649 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.577 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -83.59 14.76 3.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 109.44 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 O-C-N 121.222 -0.924 . . . . 0.0 109.385 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.675 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.29 -0.881 . . . . 0.0 109.459 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.911 0.386 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.97 59.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.899 -1.125 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.222 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.8 t80 . . . . . 0 N--CA 1.514 2.73 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -64.73 -56.58 12.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.342 -0.849 . . . . 0.0 109.372 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 120.954 -1.091 . . . . 0.0 109.686 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.833 ' C ' HD23 ' A' ' 16' ' ' LEU . 5.9 tt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.62 -31.44 36.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.834 . . . . 0.0 109.899 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.3 OUTLIER -67.83 -18.29 64.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.175 -0.953 . . . . 0.0 109.411 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.0 109.434 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.203 -0.935 . . . . 0.0 109.456 179.772 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.701 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 95.4 mttt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 -31.52 19.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.941 -1.099 . . . . 0.0 109.065 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.094 179.757 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.701 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 4.7 m-85 . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.56 -56.39 11.01 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.414 -0.804 . . . . 0.0 108.927 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.574 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.0 mmt-85 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 12' ' ' PHE . 4.1 mm? . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.231 0.539 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.72 62.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -77.09 7.57 4.85 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 12.4 t80 . . . . . 0 C--N 1.305 -1.35 0 O-C-N 121.263 -0.898 . . . . 0.0 109.493 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.7 tp . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.939 0 O-C-N 121.203 -0.935 . . . . 0.0 109.819 -179.811 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 46.8 mttp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.72 -34.42 40.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 109.081 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.099 179.731 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.5 m-30 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -67.1 -56.58 9.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.526 -0.734 . . . . 0.0 109.352 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.49 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 5.5 mmp_? . . . . . 0 N--CA 1.49 1.563 0 O-C-N 120.977 -1.077 . . . . 0.0 109.506 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.8 tt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.17 0.51 . . . . 0.0 109.696 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.73 -28.93 55.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.164 -0.96 . . . . 0.0 109.934 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.598 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -73.77 -20.36 60.51 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.137 -0.977 . . . . 0.0 109.491 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.236 -0.915 . . . . 0.0 109.655 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 5' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mttm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.936 0.398 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.7 -53.69 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.912 -1.117 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.503 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 16' ' ' LEU . 47.7 t80 . . . . . 0 N--CA 1.513 2.684 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -62.79 -54.77 33.92 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.386 -0.821 . . . . 0.0 109.212 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.532 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 23.1 mmm180 . . . . . 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.373 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 16' ' ' LEU . 7.8 tt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.47 -33.91 47.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.356 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -67.02 -10.65 52.08 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.677 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 O-C-N 121.25 -0.906 . . . . 0.0 109.393 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.125 0.488 . . . . 0.0 109.749 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.018 0 O-C-N 121.063 -1.023 . . . . 0.0 109.81 -179.595 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.925 0.393 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.45 -46.42 17.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.002 -1.061 . . . . 0.0 109.33 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 109.702 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 7.2 t80 . . . . . 0 N--CA 1.513 2.702 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -64.17 -56.72 12.79 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.293 -0.879 . . . . 0.0 109.478 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.497 ' CD ' ' H ' ' A' ' 14' ' ' ARG . 12.0 mpt_? . . . . . 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 109.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.833 ' C ' HD23 ' A' ' 16' ' ' LEU . 5.7 tt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.344 0.592 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -26.63 54.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.915 . . . . 0.0 109.6 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.633 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -87.81 16.36 5.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.365 -0.834 . . . . 0.0 109.689 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.304 -1.394 0 O-C-N 121.126 -0.984 . . . . 0.0 109.237 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' N ' HD12 ' A' ' 5' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 109.164 179.693 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 69.0 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.8 57.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.033 -1.042 . . . . 0.0 108.742 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.458 -0.776 . . . . 0.0 109.168 179.663 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.6 m-30 . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.78 -57.1 6.08 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.463 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 O-C-N 120.915 -1.116 . . . . 0.0 110.031 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 16' ' ' LEU . 7.8 tt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 -32.13 51.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.945 . . . . 0.0 109.682 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.3 OUTLIER -78.66 12.85 1.86 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.237 -0.915 . . . . 0.0 109.489 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.955 . . . . 0.0 109.039 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -110.04 69.31 0.69 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -1.095 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.609 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.827 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.9 mp -74.4 -22.51 59.13 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.88 -36.0 20.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.318 -0.864 . . . . 0.0 109.566 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.6 mttp -79.74 -40.67 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.087 -1.008 . . . . 0.0 109.377 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.26 -25.13 36.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.29 68.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.403 -0.811 . . . . 0.0 109.134 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.487 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.62 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 4.1 m-85 -47.31 -28.7 2.1 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.08 -56.44 10.04 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.336 -0.853 . . . . 0.0 109.293 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 33.1 mmt180 -45.82 -43.33 13.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.966 -1.084 . . . . 0.0 109.698 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.658 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.801 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 tt -70.6 -33.09 70.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.308 -0.87 . . . . 0.0 109.474 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.81 60.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.776 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.583 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -72.17 -8.35 54.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.157 -0.965 . . . . 0.0 109.55 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.2 t80 -99.9 -17.09 17.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.12 -0.988 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.917 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -122.38 44.95 2.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.293 -1.122 . . . . 0.0 109.544 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.629 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.0 tp -73.6 -37.83 65.3 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -35.9 75.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.594 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.568 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtmp? -79.17 -26.96 42.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.903 -1.123 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -50.67 10.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.028 -1.045 . . . . 0.0 109.144 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.5 77.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.867 . . . . 0.0 109.235 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.715 ' CD2' ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.695 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 6.3 t80 -44.58 -30.55 0.92 Allowed 'General case' 0 N--CA 1.514 2.748 0 C-N-CA 118.437 -1.305 . . . . 0.0 107.636 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.62 -56.78 11.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.323 -0.861 . . . . 0.0 109.437 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.531 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -45.95 -40.26 10.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.946 -1.097 . . . . 0.0 109.937 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.636 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.842 ' O ' HD23 ' A' ' 16' ' ' LEU . 6.2 tt -52.27 -40.13 61.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.3 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.95 76.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.777 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.606 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -68.98 -7.03 31.47 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.205 -0.934 . . . . 0.0 109.519 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -88.8 -28.69 20.28 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -172.62 -100.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -1.118 . . . . 0.0 109.634 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.4 tp -81.12 -21.75 39.61 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.08 23.42 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -79.54 -34.29 41.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.937 -1.102 . . . . 0.0 109.713 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.17 -55.49 5.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.054 -1.029 . . . . 0.0 109.869 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -30.25 63.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.602 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 36.0 t80 -44.18 -31.36 0.95 Allowed 'General case' 0 N--CA 1.515 2.801 0 C-N-CA 118.186 -1.406 . . . . 0.0 107.643 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.99 -54.98 21.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 15.4 mmt85 -45.68 -43.0 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.016 -1.053 . . . . 0.0 109.627 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.584 OE11 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 16' ' ' LEU . 5.1 tt -73.67 -34.79 65.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.249 -0.907 . . . . 0.0 109.746 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.78 64.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.962 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.602 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -67.19 -17.99 65.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.291 -0.88 . . . . 0.0 109.372 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -102.61 -19.74 14.71 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.146 -0.971 . . . . 0.0 109.379 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.765 -1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 46.8 46.35 15.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.257 -1.143 . . . . 0.0 109.573 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -77.96 -25.93 48.48 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.127 -0.983 . . . . 0.0 109.136 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 -24.8 38.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -77.6 -30.53 52.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.305 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.31 -54.45 5.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.123 -0.986 . . . . 0.0 109.096 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.713 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.626 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.589 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 24.2 t80 -44.54 -31.9 1.26 Allowed 'General case' 0 N--CA 1.513 2.719 0 C-N-CA 118.033 -1.467 . . . . 0.0 107.569 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -61.12 -56.02 25.64 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.244 -0.91 . . . . 0.0 108.776 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.482 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 11.5 mmt85 -45.68 -43.12 12.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.0 109.625 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.54 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.6 tt -63.69 -35.46 80.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.434 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -29.89 61.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.317 -0.864 . . . . 0.0 109.797 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.615 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -77.41 8.39 4.25 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.31 -0.869 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.652 ' C ' ' CD2' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -95.22 -56.27 2.78 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.243 -0.911 . . . . 0.0 109.224 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.832 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -166.84 -2.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.279 -1.13 . . . . 0.0 109.267 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.663 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.6 tp -74.46 -36.71 63.34 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.17 73.59 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.18 -0.95 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.667 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.1 mmtp -75.19 -27.52 59.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.924 -1.11 . . . . 0.0 109.184 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.42 -34.9 31.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.744 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.41 70.71 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.354 -0.841 . . . . 0.0 108.984 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.691 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.691 ' CD1' OE22 ' A' ' 11' ' ' CGU . 8.9 m-85 -44.89 -29.6 0.84 Allowed 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.47 -1.292 . . . . 0.0 107.556 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -66.05 -55.79 14.82 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.383 -0.823 . . . . 0.0 109.074 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.8 mmp_? -45.79 -43.84 13.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.096 -1.002 . . . . 0.0 110.016 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.513 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.851 ' O ' HD23 ' A' ' 16' ' ' LEU . 4.3 tt -67.75 -39.09 84.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.114 -0.991 . . . . 0.0 109.318 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -29.59 70.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.485 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.546 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -68.7 -10.21 54.97 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.314 -0.866 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 1.7 t80 -89.62 -28.06 19.77 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.92 -167.01 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -1.188 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.619 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 5' ' ' LEU . 8.7 tp -79.43 -24.53 42.42 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.67 -26.54 27.69 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 109.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.2 mptm? -77.58 -36.16 52.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.035 -1.041 . . . . 0.0 109.68 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.08 -40.91 30.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.409 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.32 -32.74 68.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 109.373 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.595 OE21 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.595 ' CD1' OE21 ' A' ' 11' ' ' CGU . 5.6 m-85 -47.19 -27.67 1.56 Allowed 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 118.683 -1.207 . . . . 0.0 107.994 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.39 -57.21 7.0 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 119.541 -0.864 . . . . 0.0 109.505 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.532 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 9.7 mpt_? -45.93 -38.51 7.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.958 -1.089 . . . . 0.0 110.163 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.516 ' CD1' OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.877 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.5 tt -50.58 -34.02 24.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.747 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.36 62.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 0.0 109.941 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.6 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.36 14.39 5.44 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.133 -0.979 . . . . 0.0 109.619 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.1 t80 -94.63 -9.71 34.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 109.385 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.815 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.565 ' OE2' ' O ' ' A' ' 2' ' ' GLU . 2.0 pp20? -77.65 -11.52 59.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -1.129 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.3 tp -74.1 -26.63 60.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.0 108.65 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.38 -38.48 34.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.221 -0.924 . . . . 0.0 109.344 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -81.67 -26.62 34.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.011 . . . . 0.0 109.75 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.49 -55.68 4.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.049 -1.032 . . . . 0.0 109.662 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.0 -39.83 75.43 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.9 . . . . 0.0 109.918 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.567 OE21 OE12 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CGU . 14.6 t80 -44.84 -31.17 1.14 Allowed 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 118.146 -1.421 . . . . 0.0 107.424 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -61.01 -56.35 22.06 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.904 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 14' ' ' ARG . 15.4 mmt85 -45.97 -44.6 15.07 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.398 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.567 OE12 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.934 HD23 ' O ' ' A' ' 16' ' ' LEU . 3.8 tt -72.05 -29.09 63.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.321 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.43 -27.62 34.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.59 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.615 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -80.21 1.05 29.91 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.665 -179.651 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.54 -51.47 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.14 -0.975 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.534 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 7.4 mp0 -80.74 37.18 0.41 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -1.166 . . . . 0.0 109.551 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.544 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 5' ' ' LEU . 6.4 mp -74.6 -24.91 58.95 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.417 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.88 -30.94 24.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 109.692 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.613 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.8 mptm? -78.01 -36.59 48.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.973 -1.079 . . . . 0.0 109.397 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.17 28.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.014 -1.054 . . . . 0.0 109.006 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HB1' HH22 ' A' ' 14' ' ' ARG . . . -64.0 -27.04 68.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.315 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.497 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 2.1 m-30 -46.56 -29.02 1.61 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.77 -56.47 13.39 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 10.3 mpt_? -45.73 -37.17 5.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.129 -0.982 . . . . 0.0 109.956 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.549 ' CD2' ' N ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 12' ' ' PHE . 2.3 mm? -53.89 -28.24 35.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.602 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.83 -29.95 29.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.895 . . . . 0.0 109.792 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.609 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -86.96 15.78 5.6 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.169 -0.957 . . . . 0.0 109.439 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -94.32 -42.34 8.96 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.265 -0.897 . . . . 0.0 109.296 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -133.86 20.08 3.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -1.077 . . . . 0.0 109.126 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.631 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.779 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.4 mp -78.2 -23.67 47.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.59 -0.694 . . . . 0.0 109.307 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.36 -27.56 27.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.217 -0.927 . . . . 0.0 109.221 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 64.8 mttm -79.09 -31.51 44.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.939 -1.101 . . . . 0.0 109.429 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.39 -36.56 26.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.062 -1.024 . . . . 0.0 108.551 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -32.72 70.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.355 -0.841 . . . . 0.0 108.815 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.699 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.699 ' CD1' OE22 ' A' ' 11' ' ' CGU . 11.1 m-85 -45.01 -29.78 0.91 Allowed 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 118.539 -1.264 . . . . 0.0 107.598 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -61.92 -56.09 22.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.202 -0.936 . . . . 0.0 108.552 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -45.93 -44.08 14.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.173 -0.955 . . . . 0.0 109.676 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.642 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.86 -54.67 31.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.44 -27.66 16.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.452 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.626 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -84.82 15.87 3.66 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.26 -0.9 . . . . 0.0 109.683 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -82.86 -22.24 34.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.211 -0.931 . . . . 0.0 109.407 179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -145.61 44.62 1.29 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -1.135 . . . . 0.0 109.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.635 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.799 ' N ' HD12 ' A' ' 5' ' ' LEU . 5.8 mp -76.73 -23.74 53.05 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.95 -35.42 25.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.329 -0.857 . . . . 0.0 109.179 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 54.7 mttp -80.55 -29.08 37.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.097 -1.002 . . . . 0.0 109.623 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.78 -31.6 20.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.985 -1.072 . . . . 0.0 108.799 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.36 69.91 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.36 -0.838 . . . . 0.0 108.93 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.534 OE22 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CZ ' ' O ' ' A' ' 8' ' ' LYS . 3.5 m-30 -46.27 -28.36 1.27 Allowed 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -65.52 -56.91 9.77 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.089 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 26.0 mmt-85 -46.18 -40.66 11.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.042 -1.036 . . . . 0.0 109.734 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.674 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.52 -37.96 82.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.261 -0.899 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.21 -29.32 63.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.325 -0.859 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.6 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -82.28 14.42 2.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.176 -0.952 . . . . 0.0 109.41 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 2.8 t80 -86.42 -23.69 25.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.258 -0.901 . . . . 0.0 109.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.889 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 6.6 mp0 40.32 37.36 0.42 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -1.184 . . . . 0.0 109.441 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.648 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -76.88 -23.24 52.61 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.36 -36.59 19.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.321 -0.862 . . . . 0.0 109.613 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.74 -31.24 28.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.77 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -50.1 24.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.019 -1.051 . . . . 0.0 109.291 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.33 -36.56 75.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.697 ' CD2' ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.673 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 7.5 t80 -44.63 -30.75 0.97 Allowed 'General case' 0 N--CA 1.512 2.646 0 C-N-CA 117.947 -1.501 . . . . 0.0 107.057 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -59.57 -56.57 20.31 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.53 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 14.1 mmt85 -46.27 -44.7 16.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -0.99 . . . . 0.0 109.201 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.554 OE11 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.817 ' O ' HD23 ' A' ' 16' ' ' LEU . 6.8 tt -53.58 -39.26 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.75 62.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.0 109.667 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.584 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.29 5.54 22.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.194 -0.941 . . . . 0.0 109.512 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.524 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 1.5 t80 -88.32 -32.99 18.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.202 -0.937 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -137.48 -8.85 1.69 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.159 -1.201 . . . . 0.0 109.455 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.648 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.3 tp -72.62 -30.76 64.61 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.97 -36.55 56.4 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.248 -0.907 . . . . 0.0 109.686 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 1.4 mptm? -75.27 -35.21 61.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.981 -1.074 . . . . 0.0 109.507 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.6 37.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.073 -1.017 . . . . 0.0 109.378 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.23 -29.01 68.54 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.367 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.487 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.54 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 2.3 m-30 -45.02 -28.58 0.71 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.68 -57.14 6.9 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.976 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.648 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -46.12 -31.7 2.52 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.004 -1.06 . . . . 0.0 110.262 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.4 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.74 ' C ' HD23 ' A' ' 16' ' ' LEU . 5.5 tt -61.86 -52.43 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 109.386 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.91 -26.23 34.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 0.0 109.651 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -87.55 7.43 29.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.283 -0.885 . . . . 0.0 109.975 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -86.27 -22.45 26.81 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 109.349 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 3' ' ' CGU . 32.9 tp10 -125.99 161.11 28.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -1.091 . . . . 0.0 109.41 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.416 ' N ' ' HG3' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.475 ' N ' OE11 ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.6 tp -76.33 -35.23 58.87 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -31.65 66.86 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -83.87 -27.05 28.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.091 . . . . 0.0 110.37 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.07 -55.05 5.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.869 -1.144 . . . . 0.0 109.408 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.21 78.05 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.525 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.68 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.599 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 33.5 t80 -44.96 -31.67 1.36 Allowed 'General case' 0 N--CA 1.514 2.749 0 C-N-CA 118.303 -1.359 . . . . 0.0 107.692 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -65.38 -54.9 22.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -0.888 . . . . 0.0 109.717 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 24.1 mmt-85 -45.71 -43.97 13.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.565 OE12 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 4.5 mm? -51.63 -24.08 5.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 109.36 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' CGU . . . -81.84 -28.41 33.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.605 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.76 11.67 10.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.652 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -90.54 -29.52 17.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -81.06 79.11 7.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -1.172 . . . . 0.0 109.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.669 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.672 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -77.74 -22.76 49.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.16 -35.35 23.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.268 -0.895 . . . . 0.0 109.244 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.711 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.7 mttp -79.73 -30.81 41.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 -24.56 31.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 108.949 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.48 76.54 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.371 -0.831 . . . . 0.0 108.978 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.592 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.711 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 6.0 m-85 -46.29 -29.43 1.63 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 118.546 -1.262 . . . . 0.0 107.838 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.16 -56.31 15.64 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 119.528 -0.869 . . . . 0.0 108.939 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.536 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 11.2 mmm180 -46.26 -41.65 13.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.455 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 16' ' ' LEU . 5.3 tt -51.61 -33.17 31.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.137 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.27 65.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 0.0 109.649 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.577 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -83.59 14.76 3.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 109.44 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -98.8 -28.97 13.25 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.222 -0.924 . . . . 0.0 109.385 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -150.31 -38.38 0.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.321 -1.105 . . . . 0.0 109.586 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.639 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.675 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -74.4 -22.95 58.92 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.634 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.27 -36.56 19.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.29 -0.881 . . . . 0.0 109.459 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -83.33 -29.83 27.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.014 -1.054 . . . . 0.0 109.965 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.97 59.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.899 -1.125 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -65.13 -35.81 82.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.222 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.706 ' CD2' ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.685 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 33.8 t80 -44.57 -30.13 0.85 Allowed 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 118.346 -1.342 . . . . 0.0 107.684 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.73 -56.58 12.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.342 -0.849 . . . . 0.0 109.372 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -45.98 -40.77 10.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.954 -1.091 . . . . 0.0 109.686 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.575 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.833 ' C ' HD23 ' A' ' 16' ' ' LEU . 5.9 tt -60.95 -49.71 76.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.62 -31.44 36.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.834 . . . . 0.0 109.899 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.3 OUTLIER -67.83 -18.29 64.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.175 -0.953 . . . . 0.0 109.411 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -85.41 -40.88 15.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.0 109.434 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 3' ' ' CGU . 42.0 tp10 -170.47 -100.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -1.097 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.428 OE11 OE21 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.66 ' N ' OE11 ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.95 -27.64 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.84 -38.06 33.65 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.203 -0.935 . . . . 0.0 109.456 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.701 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 95.4 mttt -78.2 -33.95 49.73 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.901 -1.125 . . . . 0.0 109.506 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 -31.52 19.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.941 -1.099 . . . . 0.0 109.065 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.27 -23.92 63.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.094 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.545 OE22 OE12 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.701 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 4.7 m-85 -45.47 -29.77 1.22 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -66.56 -56.39 11.01 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.414 -0.804 . . . . 0.0 108.927 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.0 mmt-85 -45.51 -34.98 3.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 110.019 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.436 ' CD2' ' N ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 12' ' ' PHE . 4.1 mm? -47.26 -29.67 2.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.198 -0.939 . . . . 0.0 109.613 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.72 62.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -77.09 7.57 4.85 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 12.4 t80 -88.31 -3.81 58.79 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.263 -0.898 . . . . 0.0 109.493 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -105.38 -66.66 0.96 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -1.101 . . . . 0.0 109.174 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.656 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.7 tp -75.39 -36.03 60.94 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.05 65.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.203 -0.935 . . . . 0.0 109.819 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 46.8 mttp -75.23 -31.59 60.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.871 -1.143 . . . . 0.0 109.525 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.72 -34.42 40.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 109.081 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.08 71.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.099 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.568 OE21 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.5 m-30 -49.51 -27.54 4.46 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.1 -56.58 9.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.526 -0.734 . . . . 0.0 109.352 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.49 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 5.5 mmp_? -45.69 -42.84 12.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.977 -1.077 . . . . 0.0 109.506 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.568 OE11 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.8 tt -56.99 -35.59 69.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 109.696 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.73 -28.93 55.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.164 -0.96 . . . . 0.0 109.934 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.598 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -73.77 -20.36 60.51 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.137 -0.977 . . . . 0.0 109.491 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -85.36 -35.94 21.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -0.915 . . . . 0.0 109.655 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.758 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' OE1' HD22 ' A' ' 5' ' ' LEU . 65.0 mm-40 -124.75 35.82 4.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -1.159 . . . . 0.0 109.293 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.582 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.9 mp -75.2 -21.66 58.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.14 -36.84 19.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -82.5 -34.65 27.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.951 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.7 -53.69 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.912 -1.117 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.93 -29.96 67.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.503 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.705 ' CD2' ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.67 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 47.7 t80 -44.39 -31.03 0.94 Allowed 'General case' 0 N--CA 1.513 2.684 0 C-N-CA 118.023 -1.471 . . . . 0.0 107.325 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -62.79 -54.77 33.92 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.386 -0.821 . . . . 0.0 109.212 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.532 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 23.1 mmm180 -45.37 -44.99 12.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.494 ' CD2' ' N ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 16' ' ' LEU . 7.8 tt -52.59 -24.45 8.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.262 -0.899 . . . . 0.0 109.421 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.47 -33.91 47.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.356 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -67.02 -10.65 52.08 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.677 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -102.43 -11.5 18.55 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.25 -0.906 . . . . 0.0 109.393 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -138.56 -179.89 6.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -1.122 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -60.98 -38.8 87.28 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.703 -0.623 . . . . 0.0 109.749 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -28.34 67.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.063 -1.023 . . . . 0.0 109.81 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -80.12 -27.02 39.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.081 . . . . 0.0 110.078 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.45 -46.42 17.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.002 -1.061 . . . . 0.0 109.33 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.93 -41.47 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 109.702 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.696 ' CD2' ' C ' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.654 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 7.2 t80 -44.78 -31.13 1.11 Allowed 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 118.334 -1.346 . . . . 0.0 107.796 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -64.17 -56.72 12.79 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.293 -0.879 . . . . 0.0 109.478 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' CD ' ' H ' ' A' ' 14' ' ' ARG . 12.0 mpt_? -46.01 -39.05 8.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 109.876 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.622 ' CD1' OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.833 ' C ' HD23 ' A' ' 16' ' ' LEU . 5.7 tt -64.16 -54.01 40.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.452 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.48 -26.63 54.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.915 . . . . 0.0 109.6 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.633 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -87.81 16.36 5.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.365 -0.834 . . . . 0.0 109.689 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -81.54 -43.23 19.04 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.126 -0.984 . . . . 0.0 109.237 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.945 -1.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -140.26 9.15 2.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.334 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.664 ' CD1' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.5 mp -73.23 -22.91 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.56 -37.81 24.59 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 109.164 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 69.0 mttt -79.23 -34.69 42.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.032 -1.043 . . . . 0.0 109.679 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.8 57.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.033 -1.042 . . . . 0.0 108.742 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -31.43 72.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.458 -0.776 . . . . 0.0 109.168 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CGU . . . . . 0.583 OE22 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.6 m-30 -51.23 -28.2 10.98 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -68.78 -57.1 6.08 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' O ' ' OD1' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -45.7 -36.59 5.05 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.915 -1.116 . . . . 0.0 110.031 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.583 OE11 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.72 ' O ' HD23 ' A' ' 16' ' ' LEU . 7.8 tt -62.56 -30.8 71.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.189 -0.944 . . . . 0.0 109.491 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 -32.13 51.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.945 . . . . 0.0 109.682 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 18' ' ' ASN . 0.3 OUTLIER -78.66 12.85 1.86 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.237 -0.915 . . . . 0.0 109.489 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 20' ' ' NH2 . 1.0 OUTLIER -77.24 -27.22 53.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.955 . . . . 0.0 109.039 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.56 ' N ' ' CD1' ' A' ' 19' ' ' TYR . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.088 -1.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.827 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.318 -0.864 . . . . 0.0 109.566 179.881 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.6 mttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.26 -25.13 36.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.445 0 O-C-N 121.403 -0.811 . . . . 0.0 109.134 179.65 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.62 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 4.1 m-85 . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -67.08 -56.44 10.04 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.336 -0.853 . . . . 0.0 109.293 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.674 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 33.1 mmt180 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 120.966 -1.084 . . . . 0.0 109.698 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.81 60.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.776 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.792 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -72.17 -8.35 54.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.157 -0.965 . . . . 0.0 109.55 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.2 t80 . . . . . 0 N--CA 1.486 1.346 0 O-C-N 121.12 -0.988 . . . . 0.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.0 tp . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.594 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.568 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtmp? . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.101 0.477 . . . . 0.0 109.754 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -50.67 10.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.028 -1.045 . . . . 0.0 109.144 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.867 . . . . 0.0 109.235 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 6.3 t80 . . . . . 0 N--CA 1.514 2.748 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.78 11.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.323 -0.861 . . . . 0.0 109.437 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 O-C-N 120.946 -1.097 . . . . 0.0 109.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.2 tt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.95 76.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.777 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.778 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -68.98 -7.03 31.47 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.205 -0.934 . . . . 0.0 109.519 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.659 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.116 0.484 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.17 -55.49 5.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.054 -1.029 . . . . 0.0 109.869 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.761 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CE2' HD12 ' A' ' 16' ' ' LEU . 36.0 t80 . . . . . 0 N--CA 1.515 2.801 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -64.99 -54.98 21.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.641 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 15.4 mmt85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.016 -1.053 . . . . 0.0 109.627 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 16' ' ' LEU . 5.1 tt . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.195 0.521 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.78 64.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.962 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.778 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -67.19 -17.99 65.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.291 -0.88 . . . . 0.0 109.372 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 O-C-N 121.146 -0.971 . . . . 0.0 109.379 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 mttt . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.31 -54.45 5.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.123 -0.986 . . . . 0.0 109.096 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.713 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.513 2.719 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -56.02 25.64 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.244 -0.91 . . . . 0.0 108.776 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.632 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.5 mmt85 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.0 109.625 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.6 tt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -29.89 61.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.317 -0.864 . . . . 0.0 109.797 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.801 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -77.41 8.39 4.25 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.31 -0.869 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.652 ' CD2' ' C ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 O-C-N 121.243 -0.911 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.6 tp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.18 -0.95 . . . . 0.0 109.362 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.667 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.1 mmtp . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.42 -34.9 31.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.744 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.354 -0.841 . . . . 0.0 108.984 179.452 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.667 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 8.9 m-85 . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -66.05 -55.79 14.82 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.383 -0.823 . . . . 0.0 109.074 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.8 mmp_? . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.096 -1.002 . . . . 0.0 110.016 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.3 tt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -29.59 70.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.485 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.791 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -68.7 -10.21 54.97 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.314 -0.866 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 1.7 t80 . . . . . 0 N--CA 1.487 1.375 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 5' ' ' LEU . 8.7 tp . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 109.483 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.2 mptm? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.08 -40.91 30.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.409 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 109.373 179.877 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 5.6 m-85 . . . . . 0 N--CA 1.502 2.158 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.39 -57.21 7.0 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 119.541 -0.864 . . . . 0.0 109.505 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.682 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 9.7 mpt_? . . . . . 0 N--CA 1.494 1.764 0 O-C-N 120.958 -1.089 . . . . 0.0 110.163 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.877 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.5 tt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.287 0.565 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.36 62.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 0.0 109.941 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.767 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.36 14.39 5.44 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.133 -0.979 . . . . 0.0 109.619 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.1 t80 . . . . . 0 N--CA 1.487 1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 109.385 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.3 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 O-C-N 121.221 -0.924 . . . . 0.0 109.344 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.49 -55.68 4.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.049 -1.032 . . . . 0.0 109.662 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.9 . . . . 0.0 109.918 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 14.6 t80 . . . . . 0 N--CA 1.513 2.703 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -61.01 -56.35 22.06 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.904 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.564 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 15.4 mmt85 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.398 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.934 HD23 ' O ' ' A' ' 16' ' ' LEU . 3.8 tt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.43 -27.62 34.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.59 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.797 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -80.21 1.05 29.91 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.665 -179.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.486 1.347 0 O-C-N 121.14 -0.975 . . . . 0.0 109.532 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 5' ' ' LEU . 6.4 mp . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.336 0.588 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 109.692 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.613 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.8 mptm? . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.17 28.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.014 -1.054 . . . . 0.0 109.006 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HB1' HH22 ' A' ' 14' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.315 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 2.1 m-30 . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.77 -56.47 13.39 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.684 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 10.3 mpt_? . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.129 -0.982 . . . . 0.0 109.956 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 12' ' ' PHE . 2.3 mm? . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' C ' HD22 ' A' ' 18' ' ' ASN . . . -82.83 -29.95 29.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.895 . . . . 0.0 109.792 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.798 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -86.96 15.78 5.6 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.169 -0.957 . . . . 0.0 109.439 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 O-C-N 121.265 -0.897 . . . . 0.0 109.296 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.779 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.217 -0.927 . . . . 0.0 109.221 179.807 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 64.8 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.39 -36.56 26.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.062 -1.024 . . . . 0.0 108.551 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.424 0 O-C-N 121.355 -0.841 . . . . 0.0 108.815 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 11.1 m-85 . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.09 22.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.202 -0.936 . . . . 0.0 108.552 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 9.7 mmt85 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.173 -0.955 . . . . 0.0 109.676 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.44 -27.66 16.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.452 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.782 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -84.82 15.87 3.66 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.26 -0.9 . . . . 0.0 109.683 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.305 -1.364 0 O-C-N 121.211 -0.931 . . . . 0.0 109.407 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.8 mp . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.329 -0.857 . . . . 0.0 109.179 179.707 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 54.7 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.78 -31.6 20.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.985 -1.072 . . . . 0.0 108.799 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.36 -0.838 . . . . 0.0 108.93 179.484 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CZ ' ' O ' ' A' ' 8' ' ' LYS . 3.5 m-30 . . . . . 0 N--CA 1.5 2.041 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.52 -56.91 9.77 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.089 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.669 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 26.0 mmt-85 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.042 -1.036 . . . . 0.0 109.734 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.21 -29.32 63.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.325 -0.859 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.794 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -82.28 14.42 2.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.176 -0.952 . . . . 0.0 109.41 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 2.8 t80 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.258 -0.901 . . . . 0.0 109.473 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.321 -0.862 . . . . 0.0 109.613 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -50.1 24.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.019 -1.051 . . . . 0.0 109.291 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 7.5 t80 . . . . . 0 N--CA 1.512 2.646 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -59.57 -56.57 20.31 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.682 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 14.1 mmt85 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.116 -0.99 . . . . 0.0 109.201 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.8 tt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.75 62.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.0 109.667 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.789 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.29 5.54 22.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.194 -0.941 . . . . 0.0 109.512 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.524 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 1.5 t80 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 121.202 -0.937 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.531 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.3 tp . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.248 -0.907 . . . . 0.0 109.686 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 1.4 mptm? . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.6 37.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.073 -1.017 . . . . 0.0 109.378 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.367 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.54 ' N ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 m-30 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.68 -57.14 6.9 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.976 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.577 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.004 -1.06 . . . . 0.0 110.262 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.74 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.5 tt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' C ' HD22 ' A' ' 18' ' ' ASN . . . -54.91 -26.23 34.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 0.0 109.651 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.802 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -87.55 7.43 29.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.283 -0.885 . . . . 0.0 109.975 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 109.349 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.6 tp . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.952 0.406 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.07 -55.05 5.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.869 -1.144 . . . . 0.0 109.408 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.525 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' CZ ' HD21 ' A' ' 16' ' ' LEU . 33.5 t80 . . . . . 0 N--CA 1.514 2.749 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.38 -54.9 22.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -0.888 . . . . 0.0 109.717 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.611 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 24.1 mmt-85 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 4.5 mm? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.84 -28.41 33.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.447 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.772 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.76 11.67 10.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.652 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.377 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.672 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.268 -0.895 . . . . 0.0 109.244 179.735 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.711 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.7 mttp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 -24.56 31.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 108.949 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.418 0 O-C-N 121.371 -0.831 . . . . 0.0 108.978 179.539 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.711 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 6.0 m-85 . . . . . 0 N--CA 1.501 2.119 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.31 15.64 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 119.528 -0.869 . . . . 0.0 108.939 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.686 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.2 mmm180 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 16' ' ' LEU . 5.3 tt . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.27 65.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 0.0 109.649 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.725 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.59 14.76 3.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 109.44 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 O-C-N 121.222 -0.924 . . . . 0.0 109.385 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.675 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.29 -0.881 . . . . 0.0 109.459 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.911 0.386 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.97 59.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.899 -1.125 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.222 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.8 t80 . . . . . 0 N--CA 1.514 2.73 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -64.73 -56.58 12.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.342 -0.849 . . . . 0.0 109.372 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.573 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 120.954 -1.091 . . . . 0.0 109.686 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.833 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.9 tt . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.62 -31.44 36.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.834 . . . . 0.0 109.899 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.809 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -67.83 -18.29 64.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.175 -0.953 . . . . 0.0 109.411 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.0 109.434 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.203 -0.935 . . . . 0.0 109.456 179.772 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.701 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 95.4 mttt . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 -31.52 19.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.941 -1.099 . . . . 0.0 109.065 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.094 179.757 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.701 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 4.7 m-85 . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.56 -56.39 11.01 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.414 -0.804 . . . . 0.0 108.927 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.693 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.0 mmt-85 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 12' ' ' PHE . 4.1 mm? . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.231 0.539 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.72 62.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.693 ' ND2' ' O ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -77.09 7.57 4.85 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 12.4 t80 . . . . . 0 C--N 1.305 -1.35 0 O-C-N 121.263 -0.898 . . . . 0.0 109.493 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.7 tp . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.939 0 O-C-N 121.203 -0.935 . . . . 0.0 109.819 -179.811 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 46.8 mttp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.72 -34.42 40.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 109.081 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.099 179.731 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.5 m-30 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' ARG . . . -67.1 -56.58 9.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.526 -0.734 . . . . 0.0 109.352 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.649 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 5.5 mmp_? . . . . . 0 N--CA 1.49 1.563 0 O-C-N 120.977 -1.077 . . . . 0.0 109.506 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.8 tt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.17 0.51 . . . . 0.0 109.696 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.73 -28.93 55.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.164 -0.96 . . . . 0.0 109.934 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.824 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -73.77 -20.36 60.51 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.137 -0.977 . . . . 0.0 109.491 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 O-C-N 121.236 -0.915 . . . . 0.0 109.655 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mttm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.936 0.398 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.7 -53.69 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.912 -1.117 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.503 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 16' ' ' LEU . 47.7 t80 . . . . . 0 N--CA 1.513 2.684 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -62.79 -54.77 33.92 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.386 -0.821 . . . . 0.0 109.212 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.691 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.1 mmm180 . . . . . 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.373 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 16' ' ' LEU . 7.8 tt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.47 -33.91 47.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.356 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.715 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -67.02 -10.65 52.08 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.677 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 O-C-N 121.25 -0.906 . . . . 0.0 109.393 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.125 0.488 . . . . 0.0 109.749 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.018 0 O-C-N 121.063 -1.023 . . . . 0.0 109.81 -179.595 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.925 0.393 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.45 -46.42 17.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.002 -1.061 . . . . 0.0 109.33 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 109.702 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 7.2 t80 . . . . . 0 N--CA 1.513 2.702 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -64.17 -56.72 12.79 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.293 -0.879 . . . . 0.0 109.478 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.537 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 12.0 mpt_? . . . . . 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 109.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.833 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.7 tt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.344 0.592 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.433 ' C ' HD22 ' A' ' 18' ' ' ASN . . . -56.48 -26.63 54.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.915 . . . . 0.0 109.6 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.791 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -87.81 16.36 5.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.365 -0.834 . . . . 0.0 109.689 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.304 -1.394 0 O-C-N 121.126 -0.984 . . . . 0.0 109.237 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 109.164 179.693 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 69.0 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.8 57.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.033 -1.042 . . . . 0.0 108.742 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.458 -0.776 . . . . 0.0 109.168 179.663 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.6 m-30 . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.78 -57.1 6.08 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.909 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.613 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 O-C-N 120.915 -1.116 . . . . 0.0 110.031 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 16' ' ' LEU . 7.8 tt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 -32.13 51.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.945 . . . . 0.0 109.682 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.69 ' N ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -78.66 12.85 1.86 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.237 -0.915 . . . . 0.0 109.489 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.955 . . . . 0.0 109.039 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -110.04 69.31 0.69 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.338 -1.095 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.609 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.827 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.9 mp -74.4 -22.51 59.13 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.88 -36.0 20.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.318 -0.864 . . . . 0.0 109.566 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 22.6 mttp -79.74 -40.67 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.087 -1.008 . . . . 0.0 109.377 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.26 -25.13 36.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -31.29 68.17 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.403 -0.811 . . . . 0.0 109.134 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.487 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.62 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 4.1 m-85 -47.31 -28.7 2.1 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.08 -56.44 10.04 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.336 -0.853 . . . . 0.0 109.293 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.674 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 33.1 mmt180 -45.82 -43.33 13.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.966 -1.084 . . . . 0.0 109.698 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.658 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.8 tt -70.6 -33.09 70.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.308 -0.87 . . . . 0.0 109.474 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.81 60.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.776 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.792 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -72.17 -8.35 54.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.157 -0.965 . . . . 0.0 109.55 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.2 t80 -99.9 -17.09 17.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.12 -0.988 . . . . 0.0 109.403 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.917 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -122.38 44.95 2.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.293 -1.122 . . . . 0.0 109.544 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.629 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.0 tp -73.6 -37.83 65.3 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.49 -35.9 75.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.594 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.568 ' CB ' ' NZ ' ' A' ' 8' ' ' LYS . 9.3 mtmp? -79.17 -26.96 42.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.903 -1.123 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.28 -50.67 10.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.028 -1.045 . . . . 0.0 109.144 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.5 77.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.867 . . . . 0.0 109.235 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.715 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.695 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 6.3 t80 -44.58 -30.55 0.92 Allowed 'General case' 0 N--CA 1.514 2.748 0 C-N-CA 118.437 -1.305 . . . . 0.0 107.636 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.62 -56.78 11.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.323 -0.861 . . . . 0.0 109.437 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.673 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -45.95 -40.26 10.03 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.946 -1.097 . . . . 0.0 109.937 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.636 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.2 tt -52.27 -40.13 61.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.3 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.95 76.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.777 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.778 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -68.98 -7.03 31.47 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.205 -0.934 . . . . 0.0 109.519 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.659 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -88.8 -28.69 20.28 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -172.62 -100.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.299 -1.118 . . . . 0.0 109.634 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.4 tp -81.12 -21.75 39.61 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -29.08 23.42 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.363 -0.836 . . . . 0.0 109.36 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -79.54 -34.29 41.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.937 -1.102 . . . . 0.0 109.713 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.17 -55.49 5.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.054 -1.029 . . . . 0.0 109.869 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -30.25 63.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.602 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 36.0 t80 -44.18 -31.36 0.95 Allowed 'General case' 0 N--CA 1.515 2.801 0 C-N-CA 118.186 -1.406 . . . . 0.0 107.643 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.99 -54.98 21.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.641 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 15.4 mmt85 -45.68 -43.0 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.016 -1.053 . . . . 0.0 109.627 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.584 OE11 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 16' ' ' LEU . 5.1 tt -73.67 -34.79 65.06 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.249 -0.907 . . . . 0.0 109.746 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.78 64.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.16 -0.962 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.778 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -67.19 -17.99 65.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.291 -0.88 . . . . 0.0 109.372 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -102.61 -19.74 14.71 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.146 -0.971 . . . . 0.0 109.379 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.765 -1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 46.8 46.35 15.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.257 -1.143 . . . . 0.0 109.573 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -77.96 -25.93 48.48 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.127 -0.983 . . . . 0.0 109.136 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 -24.8 38.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -77.6 -30.53 52.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.003 -1.061 . . . . 0.0 109.305 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.31 -54.45 5.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.123 -0.986 . . . . 0.0 109.096 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.713 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.626 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.589 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 24.2 t80 -44.54 -31.9 1.26 Allowed 'General case' 0 N--CA 1.513 2.719 0 C-N-CA 118.033 -1.467 . . . . 0.0 107.569 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -61.12 -56.02 25.64 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.244 -0.91 . . . . 0.0 108.776 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.632 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.5 mmt85 -45.68 -43.12 12.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.0 109.625 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.54 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.6 tt -63.69 -35.46 80.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.434 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -29.89 61.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.317 -0.864 . . . . 0.0 109.797 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.801 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -77.41 8.39 4.25 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.31 -0.869 . . . . 0.0 109.366 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.652 ' CD2' ' C ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -95.22 -56.27 2.78 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.243 -0.911 . . . . 0.0 109.224 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.832 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -166.84 -2.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.279 -1.13 . . . . 0.0 109.267 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.663 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.6 tp -74.46 -36.71 63.34 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.17 73.59 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.18 -0.95 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.667 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 29.1 mmtp -75.19 -27.52 59.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.924 -1.11 . . . . 0.0 109.184 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.42 -34.9 31.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 108.744 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.41 70.71 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.354 -0.841 . . . . 0.0 108.984 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.691 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.691 ' CD1' OE22 ' A' ' 11' ' ' CGU . 8.9 m-85 -44.89 -29.6 0.84 Allowed 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 118.47 -1.292 . . . . 0.0 107.556 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -66.05 -55.79 14.82 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.383 -0.823 . . . . 0.0 109.074 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.8 mmp_? -45.79 -43.84 13.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.096 -1.002 . . . . 0.0 110.016 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.467 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.3 tt -67.75 -39.09 84.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.114 -0.991 . . . . 0.0 109.318 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.74 -29.59 70.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.485 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.791 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -68.7 -10.21 54.97 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.314 -0.866 . . . . 0.0 109.384 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 1.7 t80 -89.62 -28.06 19.77 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.92 -167.01 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.18 -1.188 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.619 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 5' ' ' LEU . 8.7 tp -79.43 -24.53 42.42 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.67 -26.54 27.69 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 109.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.2 mptm? -77.58 -36.16 52.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.035 -1.041 . . . . 0.0 109.68 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.08 -40.91 30.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.409 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.32 -32.74 68.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.217 -0.927 . . . . 0.0 109.373 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.595 OE21 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.595 ' CD1' OE21 ' A' ' 11' ' ' CGU . 5.6 m-85 -47.19 -27.67 1.56 Allowed 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 118.683 -1.207 . . . . 0.0 107.994 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.39 -57.21 7.0 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 119.541 -0.864 . . . . 0.0 109.505 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.682 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 9.7 mpt_? -45.93 -38.51 7.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.958 -1.089 . . . . 0.0 110.163 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.516 ' CD1' OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.877 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.5 tt -50.58 -34.02 24.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.747 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.36 62.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 0.0 109.941 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.767 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.36 14.39 5.44 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.133 -0.979 . . . . 0.0 109.619 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 9.1 t80 -94.63 -9.71 34.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 109.385 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.815 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.565 ' OE2' ' O ' ' A' ' 2' ' ' GLU . 2.0 pp20? -77.65 -11.52 59.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -1.129 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.3 tp -74.1 -26.63 60.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.962 . . . . 0.0 108.65 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.38 -38.48 34.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.221 -0.924 . . . . 0.0 109.344 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -81.67 -26.62 34.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.011 . . . . 0.0 109.75 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.49 -55.68 4.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.049 -1.032 . . . . 0.0 109.662 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -57.0 -39.83 75.43 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.9 . . . . 0.0 109.918 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.567 OE21 OE12 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CGU . 14.6 t80 -44.84 -31.17 1.14 Allowed 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 118.146 -1.421 . . . . 0.0 107.424 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -61.01 -56.35 22.06 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 119.602 -0.839 . . . . 0.0 108.904 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.564 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 15.4 mmt85 -45.97 -44.6 15.07 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.398 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.567 OE12 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.934 HD23 ' O ' ' A' ' 16' ' ' LEU . 3.8 tt -72.05 -29.09 63.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.0 109.321 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.43 -27.62 34.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.59 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.797 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -80.21 1.05 29.91 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.665 -179.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -104.54 -51.47 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.14 -0.975 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.534 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 7.4 mp0 -80.74 37.18 0.41 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -1.166 . . . . 0.0 109.551 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.544 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 5' ' ' LEU . 6.4 mp -74.6 -24.91 58.95 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.507 -0.746 . . . . 0.0 109.417 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.88 -30.94 24.01 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 109.692 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.613 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 2.8 mptm? -78.01 -36.59 48.55 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.973 -1.079 . . . . 0.0 109.397 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.17 28.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.014 -1.054 . . . . 0.0 109.006 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HB1' HH22 ' A' ' 14' ' ' ARG . . . -64.0 -27.04 68.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.315 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.497 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 2.1 m-30 -46.56 -29.02 1.61 Allowed 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.77 -56.47 13.39 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.684 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 10.3 mpt_? -45.73 -37.17 5.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.129 -0.982 . . . . 0.0 109.956 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.549 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 12' ' ' PHE . 2.3 mm? -53.89 -28.24 35.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.602 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' C ' HD22 ' A' ' 18' ' ' ASN . . . -82.83 -29.95 29.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.895 . . . . 0.0 109.792 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.798 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -86.96 15.78 5.6 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.169 -0.957 . . . . 0.0 109.439 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -94.32 -42.34 8.96 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.265 -0.897 . . . . 0.0 109.296 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -133.86 20.08 3.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.37 -1.077 . . . . 0.0 109.126 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.631 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.779 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.4 mp -78.2 -23.67 47.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.59 -0.694 . . . . 0.0 109.307 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.36 -27.56 27.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.217 -0.927 . . . . 0.0 109.221 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 64.8 mttm -79.09 -31.51 44.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.939 -1.101 . . . . 0.0 109.429 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.39 -36.56 26.61 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.062 -1.024 . . . . 0.0 108.551 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.7 -32.72 70.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.355 -0.841 . . . . 0.0 108.815 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.699 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.699 ' CD1' OE22 ' A' ' 11' ' ' CGU . 11.1 m-85 -45.01 -29.78 0.91 Allowed 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 118.539 -1.264 . . . . 0.0 107.598 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -61.92 -56.09 22.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.202 -0.936 . . . . 0.0 108.552 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 9.7 mmt85 -45.93 -44.08 14.45 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.173 -0.955 . . . . 0.0 109.676 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.642 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.86 -54.67 31.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 108.861 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.44 -27.66 16.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.452 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.782 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -84.82 15.87 3.66 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.26 -0.9 . . . . 0.0 109.683 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -82.86 -22.24 34.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.211 -0.931 . . . . 0.0 109.407 179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -145.61 44.62 1.29 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -1.135 . . . . 0.0 109.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.635 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.8 mp -76.73 -23.74 53.05 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.95 -35.42 25.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.329 -0.857 . . . . 0.0 109.179 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 54.7 mttp -80.55 -29.08 37.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.097 -1.002 . . . . 0.0 109.623 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.78 -31.6 20.81 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.985 -1.072 . . . . 0.0 108.799 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.64 -30.36 69.91 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.36 -0.838 . . . . 0.0 108.93 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.534 OE22 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CZ ' ' O ' ' A' ' 8' ' ' LYS . 3.5 m-30 -46.27 -28.36 1.27 Allowed 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -65.52 -56.91 9.77 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 119.581 -0.848 . . . . 0.0 109.089 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.669 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 26.0 mmt-85 -46.18 -40.66 11.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.042 -1.036 . . . . 0.0 109.734 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.674 ' N ' OE22 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.52 -37.96 82.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.261 -0.899 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.21 -29.32 63.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.325 -0.859 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.794 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -82.28 14.42 2.96 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.176 -0.952 . . . . 0.0 109.41 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 2.8 t80 -86.42 -23.69 25.99 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.258 -0.901 . . . . 0.0 109.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.889 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 6.6 mp0 40.32 37.36 0.42 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -1.184 . . . . 0.0 109.441 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.648 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -76.88 -23.24 52.61 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.36 -36.59 19.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.321 -0.862 . . . . 0.0 109.613 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -82.74 -31.24 28.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.123 -0.986 . . . . 0.0 109.77 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.27 -50.1 24.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.019 -1.051 . . . . 0.0 109.291 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -59.33 -36.56 75.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.697 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.673 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 7.5 t80 -44.63 -30.75 0.97 Allowed 'General case' 0 N--CA 1.512 2.646 0 C-N-CA 117.947 -1.501 . . . . 0.0 107.057 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -59.57 -56.57 20.31 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.682 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 14.1 mmt85 -46.27 -44.7 16.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -0.99 . . . . 0.0 109.201 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.554 OE11 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 16' ' ' LEU . 6.8 tt -53.58 -39.26 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.75 62.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.0 109.667 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.789 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.29 5.54 22.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.194 -0.941 . . . . 0.0 109.512 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.524 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 1.5 t80 -88.32 -32.99 18.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.202 -0.937 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -137.48 -8.85 1.69 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.159 -1.201 . . . . 0.0 109.455 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.648 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.3 tp -72.62 -30.76 64.61 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.97 -36.55 56.4 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.248 -0.907 . . . . 0.0 109.686 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 1.4 mptm? -75.27 -35.21 61.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.981 -1.074 . . . . 0.0 109.507 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.6 37.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.073 -1.017 . . . . 0.0 109.378 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.23 -29.01 68.54 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.225 -0.922 . . . . 0.0 109.367 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.487 ' C ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.54 ' N ' ' CD2' ' A' ' 12' ' ' PHE . 2.3 m-30 -45.02 -28.58 0.71 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.68 -57.14 6.9 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.976 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.577 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -46.12 -31.7 2.52 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.004 -1.06 . . . . 0.0 110.262 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.4 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.74 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.5 tt -61.86 -52.43 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 109.386 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' C ' HD22 ' A' ' 18' ' ' ASN . . . -54.91 -26.23 34.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 0.0 109.651 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.802 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -87.55 7.43 29.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.283 -0.885 . . . . 0.0 109.975 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -86.27 -22.45 26.81 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 109.349 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 3' ' ' CGU . 32.9 tp10 -125.99 161.11 28.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -1.091 . . . . 0.0 109.41 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.416 ' N ' ' HG3' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.475 OE11 ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.6 tp -76.33 -35.23 58.87 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -31.65 66.86 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.092 -1.005 . . . . 0.0 109.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -83.87 -27.05 28.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.954 -1.091 . . . . 0.0 110.37 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.07 -55.05 5.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.869 -1.144 . . . . 0.0 109.408 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.21 78.05 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -0.838 . . . . 0.0 109.525 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.68 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.599 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 33.5 t80 -44.96 -31.67 1.36 Allowed 'General case' 0 N--CA 1.514 2.749 0 C-N-CA 118.303 -1.359 . . . . 0.0 107.692 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -65.38 -54.9 22.0 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.28 -0.888 . . . . 0.0 109.717 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.611 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 24.1 mmt-85 -45.71 -43.97 13.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.565 OE12 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 4.5 mm? -51.63 -24.08 5.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 109.36 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' CGU . . . -81.84 -28.41 33.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.866 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.772 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -85.76 11.67 10.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.652 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -90.54 -29.52 17.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.377 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -81.06 79.11 7.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -1.172 . . . . 0.0 109.425 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.669 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.672 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -77.74 -22.76 49.83 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.16 -35.35 23.65 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.268 -0.895 . . . . 0.0 109.244 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.711 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 56.7 mttp -79.73 -30.81 41.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 -24.56 31.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.076 -1.015 . . . . 0.0 108.949 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.48 76.54 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.371 -0.831 . . . . 0.0 108.978 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.592 OE22 ' CD1' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.711 ' CD2' ' O ' ' A' ' 8' ' ' LYS . 6.0 m-85 -46.29 -29.43 1.63 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 118.546 -1.262 . . . . 0.0 107.838 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.16 -56.31 15.64 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 119.528 -0.869 . . . . 0.0 108.939 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.686 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.2 mmm180 -46.26 -41.65 13.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.161 -0.962 . . . . 0.0 109.907 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.455 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 16' ' ' LEU . 5.3 tt -51.61 -33.17 31.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.137 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.27 65.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 0.0 109.649 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.725 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -83.59 14.76 3.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 109.44 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -98.8 -28.97 13.25 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.222 -0.924 . . . . 0.0 109.385 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -150.31 -38.38 0.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.321 -1.105 . . . . 0.0 109.586 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.639 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.675 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -74.4 -22.95 58.92 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.634 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.27 -36.56 19.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.29 -0.881 . . . . 0.0 109.459 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -83.33 -29.83 27.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.014 -1.054 . . . . 0.0 109.965 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.97 59.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.899 -1.125 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -65.13 -35.81 82.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 109.222 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.706 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.685 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 33.8 t80 -44.57 -30.13 0.85 Allowed 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 118.346 -1.342 . . . . 0.0 107.684 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -64.73 -56.58 12.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.342 -0.849 . . . . 0.0 109.372 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.573 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -45.98 -40.77 10.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.954 -1.091 . . . . 0.0 109.686 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.575 ' CD1' OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.833 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.9 tt -60.95 -49.71 76.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.62 -31.44 36.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.365 -0.834 . . . . 0.0 109.899 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.809 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -67.83 -18.29 64.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.175 -0.953 . . . . 0.0 109.411 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -85.41 -40.88 15.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.0 109.434 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 3' ' ' CGU . 42.0 tp10 -170.47 -100.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -1.097 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.428 OE11 OE21 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.66 OE11 ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.95 -27.64 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.84 -38.06 33.65 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.203 -0.935 . . . . 0.0 109.456 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.701 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 95.4 mttt -78.2 -33.95 49.73 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.901 -1.125 . . . . 0.0 109.506 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 -31.52 19.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.941 -1.099 . . . . 0.0 109.065 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.27 -23.92 63.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.094 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.545 OE22 OE12 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.701 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 4.7 m-85 -45.47 -29.77 1.22 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -66.56 -56.39 11.01 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.414 -0.804 . . . . 0.0 108.927 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.693 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.0 mmt-85 -45.51 -34.98 3.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.055 -1.028 . . . . 0.0 110.019 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.436 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 12' ' ' PHE . 4.1 mm? -47.26 -29.67 2.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.198 -0.939 . . . . 0.0 109.613 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.97 -34.72 62.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.437 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.693 ' ND2' ' O ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -77.09 7.57 4.85 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.297 -0.877 . . . . 0.0 109.375 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.579 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 12.4 t80 -88.31 -3.81 58.79 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.263 -0.898 . . . . 0.0 109.493 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -105.38 -66.66 0.96 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -1.101 . . . . 0.0 109.174 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.656 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 5' ' ' LEU . 5.7 tp -75.39 -36.03 60.94 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.05 65.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.203 -0.935 . . . . 0.0 109.819 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 46.8 mttp -75.23 -31.59 60.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.871 -1.143 . . . . 0.0 109.525 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.72 -34.42 40.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 109.081 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.08 71.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.099 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.568 OE21 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.5 m-30 -49.51 -27.54 4.46 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -67.1 -56.58 9.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.526 -0.734 . . . . 0.0 109.352 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.649 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 5.5 mmp_? -45.69 -42.84 12.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.977 -1.077 . . . . 0.0 109.506 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.568 OE11 OE21 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 16' ' ' LEU . 4.8 tt -56.99 -35.59 69.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.202 -0.936 . . . . 0.0 109.696 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.73 -28.93 55.98 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.164 -0.96 . . . . 0.0 109.934 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.824 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -73.77 -20.36 60.51 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.137 -0.977 . . . . 0.0 109.491 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -85.36 -35.94 21.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -0.915 . . . . 0.0 109.655 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.758 -1.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' OE1' HD22 ' A' ' 5' ' ' LEU . 65.0 mm-40 -124.75 35.82 4.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -1.159 . . . . 0.0 109.293 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.582 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.9 mp -75.2 -21.66 58.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.14 -36.84 19.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -82.5 -34.65 27.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 0.0 109.951 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.7 -53.69 11.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.912 -1.117 . . . . 0.0 109.161 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.93 -29.96 67.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.894 . . . . 0.0 109.503 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.705 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.67 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 47.7 t80 -44.39 -31.03 0.94 Allowed 'General case' 0 N--CA 1.513 2.684 0 C-N-CA 118.023 -1.471 . . . . 0.0 107.325 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -62.79 -54.77 33.92 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.386 -0.821 . . . . 0.0 109.212 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.691 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 23.1 mmm180 -45.37 -44.99 12.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.494 ' N ' ' CD2' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 16' ' ' LEU . 7.8 tt -52.59 -24.45 8.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.262 -0.899 . . . . 0.0 109.421 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.47 -33.91 47.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 0.0 109.356 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.715 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER -67.02 -10.65 52.08 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.348 -0.845 . . . . 0.0 109.314 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.677 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -102.43 -11.5 18.55 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.25 -0.906 . . . . 0.0 109.393 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -138.56 -179.89 6.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.293 -1.122 . . . . 0.0 109.429 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.865 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -60.98 -38.8 87.28 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.703 -0.623 . . . . 0.0 109.749 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 -28.34 67.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.063 -1.023 . . . . 0.0 109.81 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -80.12 -27.02 39.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.081 . . . . 0.0 110.078 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.45 -46.42 17.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.002 -1.061 . . . . 0.0 109.33 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -58.93 -41.47 87.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.383 -0.823 . . . . 0.0 109.702 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.696 ' C ' ' CD2' ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.654 ' N ' ' CD2' ' A' ' 11' ' ' CGU . 7.2 t80 -44.78 -31.13 1.11 Allowed 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 118.334 -1.346 . . . . 0.0 107.796 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 10' ' ' ALA . . . -64.17 -56.72 12.79 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.293 -0.879 . . . . 0.0 109.478 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 12.0 mpt_? -46.01 -39.05 8.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 109.876 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.622 ' CD1' OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.833 HD23 ' C ' ' A' ' 16' ' ' LEU . 5.7 tt -64.16 -54.01 40.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.452 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' C ' HD22 ' A' ' 18' ' ' ASN . . . -56.48 -26.63 54.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.915 . . . . 0.0 109.6 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.791 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -87.81 16.36 5.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.365 -0.834 . . . . 0.0 109.689 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -81.54 -43.23 19.04 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.126 -0.984 . . . . 0.0 109.237 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.945 -1.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -140.26 9.15 2.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.271 -1.135 . . . . 0.0 109.334 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.664 ' N ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 5' ' ' LEU . 5.5 mp -73.23 -22.91 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.56 -37.81 24.59 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 109.164 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 69.0 mttt -79.23 -34.69 42.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.032 -1.043 . . . . 0.0 109.679 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.8 57.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.033 -1.042 . . . . 0.0 108.742 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -31.43 72.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.458 -0.776 . . . . 0.0 109.168 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CGU . . . . . 0.583 OE22 OE11 ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 8' ' ' LYS . 2.6 m-30 -51.23 -28.2 10.98 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' CGU . . . -68.78 -57.1 6.08 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.613 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.6 OUTLIER -45.7 -36.59 5.05 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.915 -1.116 . . . . 0.0 110.031 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.583 OE11 OE22 ' A' ' 11' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 16' ' ' LEU . 7.8 tt -62.56 -30.8 71.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.189 -0.944 . . . . 0.0 109.491 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 -32.13 51.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.189 -0.945 . . . . 0.0 109.682 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.69 ' N ' ' ND2' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -78.66 12.85 1.86 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.237 -0.915 . . . . 0.0 109.489 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 20' ' ' NH2 . 1.0 OUTLIER -77.24 -27.22 53.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.955 . . . . 0.0 109.039 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.56 ' N ' ' CD1' ' A' ' 19' ' ' TYR . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.088 -1.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_