data_2myz_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 2myz _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.148 0.499 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.8 t30 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 121.113 0.482 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.831 -179.57 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 121.204 0.526 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.23 -30.43 66.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.243 -0.91 . . . . 0.0 110.101 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.103 -0.998 . . . . 0.0 109.525 -179.736 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.6 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.2 pp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -43.94 -29.24 0.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 0.0 109.357 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ALA . 35.7 t30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.379 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.161 0.505 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.143 -0.973 . . . . 0.0 109.705 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' ALA . 23.9 t30 . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.258 0.551 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' PHE . 2.1 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 11.7 t80 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.346 0.593 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.535 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -65.12 -37.83 88.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.159 -0.963 . . . . 0.0 109.874 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 109.645 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.313 0.578 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 17' ' ' ASN . . . -44.16 -30.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.539 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 16' ' ' ALA . 57.1 t30 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.38 -0.825 . . . . 0.0 109.58 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.284 0.564 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.171 -0.956 . . . . 0.0 109.724 -179.643 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.8 t30 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.57 -179.828 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.306 0.574 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.96 24.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 109.692 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.501 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -48.43 -35.24 12.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 109.483 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.129 -0.982 . . . . 0.0 109.385 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.427 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.199 0.523 . . . . 0.0 109.598 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' ALA . 31.0 t30 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.337 0.589 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 109.308 -179.677 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -61.14 -29.3 69.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.423 -0.798 . . . . 0.0 109.602 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.78 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -46.28 -20.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.406 -0.809 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' LEU . 47.0 t30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.437 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.2 tt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.358 0.599 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.106 -0.996 . . . . 0.0 109.676 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' ALA . 6.9 t-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.407 ' C ' ' N ' ' A' ' 11' ' ' PHE . 12.7 tp60 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.348 -0.845 . . . . 0.0 109.628 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.5 t80 . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.217 0.532 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.558 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -73.63 -46.44 46.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 109.969 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 120.991 -1.068 . . . . 0.0 109.582 -179.775 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -48.22 -40.0 22.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.845 . . . . 0.0 109.639 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.1 t30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.211 -0.93 . . . . 0.0 109.583 -179.798 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.218 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 t30 . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 121.316 0.579 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.933 . . . . 0.0 109.66 -179.767 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.207 0.527 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.586 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.02 -32.9 63.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.311 -0.868 . . . . 0.0 109.867 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 8.5 mmp_? . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.057 -1.027 . . . . 0.0 109.944 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.4 pp . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.37 -42.63 7.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.275 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.1 t30 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' ALA . 29.7 t30 . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 121.106 0.479 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.181 -0.949 . . . . 0.0 109.851 -179.483 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 t80 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.07 0.462 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 15' ' ' LEU . . . -78.55 -35.2 46.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.235 -0.916 . . . . 0.0 109.605 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.587 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.764 ' CD2' ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.82 -30.44 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.368 -0.833 . . . . 0.0 109.639 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.0 109.56 -179.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 0.0 109.775 -179.688 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t30 . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.92 . . . . 0.0 109.383 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.56 -51.34 8.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.738 -1.226 . . . . 0.0 111.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' ALA . 19.8 mmt180 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.199 -0.938 . . . . 0.0 111.134 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 4.3 pp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -45.74 -39.84 8.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.486 -0.758 . . . . 0.0 109.472 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.55 ' C ' HD21 ' A' ' 17' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 109.562 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.29 0.567 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.584 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' ALA . 26.1 t30 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 121.349 0.595 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 -179.322 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 t80 . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.341 0.591 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -73.07 -37.26 66.87 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.661 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 4.0 pp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.25 -26.25 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.472 -0.767 . . . . 0.0 109.502 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.441 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.298 0.571 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.644 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.3 t30 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.268 0.556 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 110.035 -179.449 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.7 t80 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.288 0.565 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -81.64 -35.02 30.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.081 -1.012 . . . . 0.0 109.561 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -44.03 -31.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.439 -0.788 . . . . 0.0 109.582 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 0.0 109.359 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.252 0.548 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.253 -0.904 . . . . 0.0 109.719 -179.579 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.466 0.65 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.488 1.431 0 O-C-N 121.416 -0.802 . . . . 0.0 110.072 -179.527 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.284 0.564 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.651 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -49.45 -41.9 41.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.381 -0.825 . . . . 0.0 111.507 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 N--CA 1.495 1.778 0 O-C-N 120.565 -1.334 . . . . 0.0 111.719 -178.348 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.651 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.1 pp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -44.18 -26.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 0.0 109.547 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' ALA . 12.6 t-20 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.3 tt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.341 -0.85 . . . . 0.0 109.672 -179.591 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 121.305 0.574 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 -179.596 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 13.4 t80 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.252 0.548 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.21 -33.87 63.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -0.916 . . . . 0.0 109.898 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.84 -179.571 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 17' ' ' ASN . . . -46.13 -43.56 15.0 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.545 ' C ' ' O ' ' A' ' 16' ' ' ALA . 22.6 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.617 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.173 0.511 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.739 -179.478 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.141 0.496 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.18 -0.95 . . . . 0.0 110.129 -179.325 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.254 0.55 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -80.0 -36.71 35.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.267 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.033 -1.042 . . . . 0.0 109.904 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 17' ' ' ASN . 4.5 pp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.588 ' C ' HD21 ' A' ' 17' ' ' ASN . . . -44.61 -17.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.752 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.588 HD21 ' C ' ' A' ' 16' ' ' ALA . 3.2 m120 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.0 109.594 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 109.608 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t30 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 121.392 0.615 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 109.624 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 121.068 0.461 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.57 -26.21 59.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 110.088 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.975 -1.078 . . . . 0.0 110.065 -179.652 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -49.06 -43.79 41.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.456 -0.778 . . . . 0.0 109.488 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.591 ' N ' HD21 ' A' ' 17' ' ' ASN . 1.5 m120 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.343 -0.848 . . . . 0.0 109.425 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 121.263 0.554 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.307 -0.871 . . . . 0.0 109.412 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t30 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.382 0.611 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.679 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 11.6 tp60 . . . . . 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 0.0 109.135 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.256 0.551 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -76.77 -33.74 58.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.309 -0.869 . . . . 0.0 109.741 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.09 -1.006 . . . . 0.0 109.525 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.634 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 3.8 pp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -46.15 -13.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.433 -0.792 . . . . 0.0 109.454 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-80 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.526 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.125 0.488 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.132 -0.98 . . . . 0.0 109.684 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' N ' ' C ' ' A' ' 6' ' ' ALA . 23.8 t30 . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 121.327 0.584 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 0.0 109.668 -179.659 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 121.326 0.584 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -69.04 -26.27 64.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.014 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.101 -1.0 . . . . 0.0 109.86 -179.65 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.578 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.4 pp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.516 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -47.72 -41.23 22.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.542 -0.724 . . . . 0.0 109.199 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.428 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.44 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.239 0.542 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.666 -179.641 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 t30 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 121.391 0.615 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.381 -0.824 . . . . 0.0 109.928 -179.434 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.3 t80 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.106 0.479 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.53 68.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 109.772 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.544 -179.459 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.638 ' CD2' ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.34 -15.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.91 . . . . 0.0 109.517 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.577 ' N ' ' O ' ' A' ' 15' ' ' LEU . 74.0 m-20 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.229 0.538 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.15 -0.969 . . . . 0.0 109.936 -179.356 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 t30 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 11' ' ' PHE . 16.3 pt20 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 9' ' ' GLN . 12.8 t80 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.22 0.533 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -72.76 -42.34 64.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.969 . . . . 0.0 110.02 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.109 -0.994 . . . . 0.0 109.975 -179.554 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.5 pp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.521 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -49.08 -34.52 13.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 0.0 109.333 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.643 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.238 0.542 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.647 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 6' ' ' ALA . 30.4 t30 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 121.213 0.53 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' CA ' ' NE2' ' A' ' 9' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.28 -0.887 . . . . 0.0 109.367 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 121.32 0.581 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.1 -30.15 66.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.869 . . . . 0.0 109.936 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 16' ' ' ALA . 45.9 ttp180 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.047 -1.033 . . . . 0.0 109.973 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.594 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -46.08 -21.65 0.16 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' LEU . 73.6 m-80 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.555 ' C ' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.04 -7.04 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -1.119 . . . . 0.0 109.53 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.555 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.459 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt -49.8 -44.15 48.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 0.0 110.01 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.91 -46.37 15.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.029 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.514 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.8 t30 -42.75 -46.02 5.0 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.004 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' O ' ' C ' ' A' ' 10' ' ' CGU . 12.2 pt20 -85.24 -42.49 14.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.831 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.703 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' CGU . 11.0 t80 -42.4 -44.94 4.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.485 -0.76 . . . . 0.0 109.878 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.23 -30.43 66.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.243 -0.91 . . . . 0.0 110.101 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' CGU . 3.8 tmt_? -86.36 -31.11 21.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.103 -0.998 . . . . 0.0 109.525 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.426 ' HG ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.2 pp -49.36 -33.23 13.09 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.323 -0.861 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -43.94 -29.24 0.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 0.0 109.357 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ALA . 35.7 t30 -55.74 -103.42 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.379 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.928 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -75.25 -14.15 60.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -1.128 . . . . 0.0 109.462 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.432 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.702 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.63 -31.25 71.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.964 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.67 -45.71 13.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.143 -0.973 . . . . 0.0 109.705 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -42.73 -48.43 5.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.01 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.541 ' CG ' ' N ' ' A' ' 10' ' ' CGU . 2.1 pt20 -79.98 -43.88 21.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.541 ' N ' ' CG ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 11.7 t80 -83.51 -43.73 15.44 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.599 -0.688 . . . . 0.0 110.158 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.535 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -65.12 -37.83 88.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.159 -0.963 . . . . 0.0 109.874 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -80.54 -22.95 40.36 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 109.645 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.6 pp -48.91 -32.28 8.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.874 . . . . 0.0 109.538 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 17' ' ' ASN . . . -44.16 -30.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.539 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 16' ' ' ALA . 57.1 t30 34.06 71.83 0.1 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.38 -0.825 . . . . 0.0 109.58 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.69 -7.32 25.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -1.14 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.489 OE12 OE22 ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.32 -38.07 79.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.342 -0.849 . . . . 0.0 109.537 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.543 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.33 -34.48 31.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.171 -0.956 . . . . 0.0 109.724 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.543 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' CGU . 23.8 t30 -42.77 -47.58 5.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.8 -40.0 63.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.57 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CGU . 53.9 t80 -83.35 -26.09 30.83 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-O 121.306 0.574 . . . . 0.0 110.017 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.96 24.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' CGU . 39.9 ttm180 -83.86 -22.82 31.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 109.692 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.92 -33.28 10.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -48.43 -35.24 12.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 109.483 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -66.34 -50.84 62.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.129 -0.982 . . . . 0.0 109.385 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.77 -15.86 14.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -1.217 . . . . 0.0 109.144 179.854 . . . . . . . . 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 . . . . . 0.427 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -59.75 -25.82 65.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.208 -0.932 . . . . 0.0 109.598 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -82.27 -47.6 12.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 6' ' ' ALA . 31.0 t30 -43.38 -55.86 3.88 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.709 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -70.26 -32.73 70.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 109.308 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.722 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' CGU . 11.5 t80 -42.61 -42.66 3.49 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.44 -0.788 . . . . 0.0 109.384 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -61.14 -29.3 69.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.423 -0.798 . . . . 0.0 109.602 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' CGU . 17.6 mmt85 -85.99 -24.3 26.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.78 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.41 ' HG ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.6 pp -48.82 -33.91 11.41 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 108.815 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -46.28 -20.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.406 -0.809 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' LEU . 47.0 t30 -88.45 114.62 25.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.972 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.668 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 46.0 mp0 -77.76 -17.12 57.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.272 -1.134 . . . . 0.0 109.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.648 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.2 tt -58.66 -25.4 62.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 109.557 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.98 -43.66 17.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.106 -0.996 . . . . 0.0 109.676 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.537 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -42.98 -46.35 5.42 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.65 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -80.72 -51.9 8.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.348 -0.845 . . . . 0.0 109.628 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.5 t80 -83.39 -29.32 28.25 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 121.217 0.532 . . . . 0.0 110.362 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.558 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -73.63 -46.44 46.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 109.969 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' CGU . 31.1 mmt180 -74.28 -29.39 61.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.991 -1.068 . . . . 0.0 109.582 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.3 pp -48.12 -33.76 8.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.904 . . . . 0.0 109.105 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -48.22 -40.0 22.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.845 . . . . 0.0 109.639 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.01 -9.78 42.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.211 -0.93 . . . . 0.0 109.583 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -73.41 -11.25 60.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -1.132 . . . . 0.0 109.382 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -37.32 83.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.58 -39.8 26.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.218 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.513 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -42.39 -49.36 5.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.87 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' O ' ' C ' ' A' ' 10' ' ' CGU . 17.5 pt20 -86.34 -33.22 20.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.933 . . . . 0.0 109.66 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.69 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' CGU . 28.9 t80 -42.87 -26.82 0.15 Allowed 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.543 -0.723 . . . . 0.0 109.658 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.586 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.02 -32.9 63.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.311 -0.868 . . . . 0.0 109.867 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 8.5 mmp_? -86.34 -28.58 23.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.057 -1.027 . . . . 0.0 109.944 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.586 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.4 pp -53.42 -32.17 48.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.229 -0.919 . . . . 0.0 108.749 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 18' ' ' NH2 . . . -44.37 -42.63 7.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.275 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -64.56 61.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 3' ' ' CGU . 90.2 mt-10 -46.3 -59.69 2.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -1.121 . . . . 0.0 109.688 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.445 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.71 -34.82 73.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.93 -43.37 15.32 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.52 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -42.68 -48.61 5.55 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.854 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -83.06 -34.16 26.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.181 -0.949 . . . . 0.0 109.851 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -84.32 -32.67 24.18 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.689 -0.632 . . . . 0.0 110.36 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 15' ' ' LEU . . . -78.55 -35.2 46.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.235 -0.916 . . . . 0.0 109.605 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' C ' ' A' ' 14' ' ' CGU . 73.3 ttt180 -86.64 -23.01 25.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.481 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.764 ' CD2' ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -48.19 -32.61 7.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.302 -0.874 . . . . 0.0 109.132 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.82 -30.44 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.368 -0.833 . . . . 0.0 109.639 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -149.56 -37.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.0 109.56 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . 0.425 ' N ' ' O ' ' A' ' 14' ' ' CGU . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -64.36 -3.28 2.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -1.132 . . . . 0.0 109.409 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.408 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.707 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.47 -30.0 69.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.137 -0.977 . . . . 0.0 109.697 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.574 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.24 -38.82 21.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.587 ' O ' OE11 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -43.05 -49.41 6.14 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.596 ' CG ' ' N ' ' A' ' 10' ' ' CGU . 1.0 OUTLIER -66.99 -45.9 76.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.92 . . . . 0.0 109.383 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.743 ' CD1' ' C ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 10' ' ' CGU . 30.8 t80 -41.36 -25.83 0.05 OUTLIER 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.911 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 10' ' ' CGU . . . -80.56 -51.34 8.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.738 -1.226 . . . . 0.0 111.033 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' ALA . 19.8 mmt180 -82.84 -24.14 33.42 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.199 -0.938 . . . . 0.0 111.134 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.734 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.613 ' N ' ' HG ' ' A' ' 14' ' ' CGU . 4.3 pp -53.61 -30.03 40.61 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -45.74 -39.84 8.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.486 -0.758 . . . . 0.0 109.472 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.55 ' C ' HD21 ' A' ' 17' ' ' ASN . 0.4 OUTLIER -69.55 -92.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 109.562 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.917 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 57.3 mp0 -77.46 6.4 7.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -1.112 . . . . 0.0 109.462 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.669 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.18 -40.34 64.3 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.243 -0.91 . . . . 0.0 109.603 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.55 -44.15 19.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.519 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -42.98 -50.54 5.86 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.683 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' CGU . 2.8 tt0 -76.06 -47.9 22.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -81.81 -36.22 28.61 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.707 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -73.07 -37.26 66.87 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 14' ' ' CGU . 77.8 ttt180 -82.0 -24.01 35.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.661 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.461 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 4.0 pp -51.94 -31.53 29.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.447 -0.783 . . . . 0.0 109.052 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.25 -26.25 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.472 -0.767 . . . . 0.0 109.502 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -103.57 -60.83 1.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.441 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.543 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 1.9 pp20? -44.08 -20.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -1.106 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.518 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.565 ' O ' OE12 ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tt -49.92 -36.48 27.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.48 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.99 -43.11 18.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.644 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.535 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -43.09 -49.37 6.27 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.714 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 10' ' ' CGU . 15.3 pt20 -80.48 -34.51 35.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 110.035 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.468 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.7 t80 -84.23 -27.7 27.77 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.783 -0.573 . . . . 0.0 110.007 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -81.64 -35.02 30.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' CGU . 38.0 ttm180 -83.31 -24.89 31.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.081 -1.012 . . . . 0.0 109.561 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.3 pp -51.54 -32.03 26.47 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.349 -0.844 . . . . 0.0 109.041 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -44.03 -31.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.439 -0.788 . . . . 0.0 109.582 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -123.62 -78.12 0.6 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 3' ' ' CGU . 1.7 pp20? -59.52 -32.33 70.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -1.135 . . . . 0.0 109.514 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.696 ' C ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.667 ' N ' OE22 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.56 -27.34 67.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 109.639 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.83 -36.21 28.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -0.904 . . . . 0.0 109.719 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.582 ' CD1' OE21 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -43.45 -53.65 5.3 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.466 0.65 . . . . 0.0 109.555 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 10' ' ' CGU . 6.2 tt0 -66.22 -45.57 80.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.416 -0.802 . . . . 0.0 110.072 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.565 ' O ' OE21 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' HA ' ' CD1' ' A' ' 14' ' ' CGU . 38.1 t80 -49.37 -54.15 18.8 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 121.284 0.564 . . . . 0.0 111.498 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.651 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -49.45 -41.9 41.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.381 -0.825 . . . . 0.0 111.507 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 14' ' ' CGU . 26.4 mmt180 -87.91 -45.94 9.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.565 -1.334 . . . . 0.0 111.719 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.69 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.651 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.1 pp -48.23 -34.22 9.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -44.18 -26.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 0.0 109.547 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' ALA . 12.6 t-20 41.24 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.48 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -46.24 -23.81 0.39 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.283 -1.128 . . . . 0.0 109.534 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.3 tt -51.47 -31.12 22.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.06 -42.65 20.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.341 -0.85 . . . . 0.0 109.672 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -42.98 -53.73 4.61 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.305 0.574 . . . . 0.0 109.767 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 10' ' ' CGU . 17.5 pt20 -77.76 -35.84 51.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.463 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 13.4 t80 -81.33 -39.3 25.36 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.716 -0.615 . . . . 0.0 110.051 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.21 -33.87 63.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -0.916 . . . . 0.0 109.898 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' CGU . 22.4 mmt-85 -84.59 -23.33 29.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.84 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -51.73 -32.14 29.24 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.365 -0.834 . . . . 0.0 108.772 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 17' ' ' ASN . . . -46.13 -43.56 15.0 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.545 ' C ' ' O ' ' A' ' 16' ' ' ALA . 22.6 t-20 33.55 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.617 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -66.89 -23.19 65.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.722 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.686 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.4 -35.3 69.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.681 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.08 -35.8 25.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.739 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.507 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -42.7 -47.74 5.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 10' ' ' CGU . 23.6 pt20 -86.04 -33.9 20.88 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.18 -0.95 . . . . 0.0 110.129 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.494 OE12 OE21 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -83.73 -28.8 27.99 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.729 -0.607 . . . . 0.0 110.301 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -80.0 -36.71 35.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.267 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -23.92 26.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.033 -1.042 . . . . 0.0 109.904 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 17' ' ' ASN . 4.5 pp -48.18 -33.24 8.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.318 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' C ' HD21 ' A' ' 17' ' ' ASN . . . -44.61 -17.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.752 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.588 HD21 ' C ' ' A' ' 16' ' ' ALA . 3.2 m120 -116.63 57.83 0.77 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.0 109.594 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.833 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 3' ' ' CGU . 58.2 mm-40 -57.96 -36.84 73.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.184 -1.186 . . . . 0.0 109.545 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.702 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.09 -28.67 70.23 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.212 -0.93 . . . . 0.0 109.458 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -79.79 -36.23 37.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 109.608 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.509 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -42.49 -49.57 5.32 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.39 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' CGU . 1.2 tt0 -73.02 -46.41 52.22 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 109.624 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.644 ' CD1' ' O ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' CGU . 6.6 t80 -42.43 -35.91 1.16 Allowed 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.496 -0.752 . . . . 0.0 110.119 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.57 -26.21 59.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 110.088 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' CGU . 5.4 mmm180 -86.34 -34.75 20.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.975 -1.078 . . . . 0.0 110.065 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.536 ' N ' OE11 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.6 pp -48.48 -34.08 10.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.247 -0.908 . . . . 0.0 108.896 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -49.06 -43.79 41.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.456 -0.778 . . . . 0.0 109.488 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.591 ' N ' HD21 ' A' ' 17' ' ' ASN . 1.5 m120 -97.69 -116.92 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -0.848 . . . . 0.0 109.425 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 2.1 pp20? -82.01 -15.29 54.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.163 -1.198 . . . . 0.0 109.45 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.468 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.66 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.87 -38.48 72.79 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.245 -0.909 . . . . 0.0 109.551 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -79.8 -39.23 31.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.307 -0.871 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.521 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -42.53 -48.57 5.34 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.382 0.611 . . . . 0.0 109.393 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.679 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 11.6 tp60 -75.35 -39.74 58.99 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 0.0 109.135 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -83.75 -30.45 26.65 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 121.256 0.551 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -76.77 -33.74 58.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.309 -0.869 . . . . 0.0 109.741 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -86.16 -23.17 26.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.09 -1.006 . . . . 0.0 109.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.634 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 3.8 pp -48.25 -33.58 8.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.067 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -46.15 -13.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.433 -0.792 . . . . 0.0 109.454 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-80 -102.2 -101.53 0.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.526 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.801 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 1.9 pp20? -82.19 -18.26 43.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -1.203 . . . . 0.0 109.474 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.34 -40.16 58.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.853 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.58 -46.32 14.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.132 -0.98 . . . . 0.0 109.684 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.535 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -42.76 -50.85 5.54 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.676 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 10' ' ' CGU . 2.1 pt20 -76.09 -39.08 56.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 0.0 109.668 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.709 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' CGU . 5.7 t80 -43.85 -40.03 4.23 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.559 -0.713 . . . . 0.0 109.858 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -69.04 -26.27 64.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.014 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 14' ' ' CGU . 29.1 ttm180 -85.99 -30.42 22.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.101 -1.0 . . . . 0.0 109.86 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.474 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.578 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.4 pp -48.3 -33.79 9.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.317 -0.865 . . . . 0.0 108.789 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -47.72 -41.23 22.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.542 -0.724 . . . . 0.0 109.199 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.89 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.18 -19.8 46.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.279 -1.13 . . . . 0.0 109.411 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.69 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 1.6 tt -51.86 -25.42 7.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.202 -0.936 . . . . 0.0 109.576 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.98 -41.7 20.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.666 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.516 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -42.67 -49.69 5.55 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.391 0.615 . . . . 0.0 109.589 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -73.98 -45.63 48.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.381 -0.824 . . . . 0.0 109.928 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -82.07 -50.1 9.46 Favored 'General case' 0 C--N 1.285 -2.197 0 O-C-N 121.744 -0.597 . . . . 0.0 110.319 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.53 68.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 109.772 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 14' ' ' CGU . 24.9 mmt85 -86.83 -22.71 25.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.544 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.492 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.638 ' CD2' ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -48.47 -34.66 11.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.109 -0.994 . . . . 0.0 109.233 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.34 -15.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.91 . . . . 0.0 109.517 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.577 ' N ' ' O ' ' A' ' 15' ' ' LEU . 74.0 m-20 -129.43 -128.28 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.55 1.77 0.34 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.302 -1.116 . . . . 0.0 109.543 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.525 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.636 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -52.0 -37.73 54.27 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.792 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.39 -39.75 20.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.15 -0.969 . . . . 0.0 109.936 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.515 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -43.21 -53.49 5.05 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.004 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 11' ' ' PHE . 16.3 pt20 -84.16 -48.68 9.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 9' ' ' GLN . 12.8 t80 -83.57 -31.11 26.51 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.22 0.533 . . . . 0.0 110.243 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -72.76 -42.34 64.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.969 . . . . 0.0 110.02 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' CGU . 78.0 ttt180 -84.87 -23.21 29.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.109 -0.994 . . . . 0.0 109.975 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.5 pp -48.74 -31.74 7.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.146 -0.971 . . . . 0.0 108.881 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.521 ' N ' ' CD1' ' A' ' 15' ' ' LEU . . . -49.08 -34.52 13.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 0.0 109.333 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -73.09 75.11 1.24 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 7.5 mp0 -80.55 -43.39 20.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -1.144 . . . . 0.0 109.382 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.698 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tt -50.68 -39.08 50.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.267 -0.896 . . . . 0.0 109.747 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.81 -43.07 18.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.647 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.513 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -42.23 -46.57 4.5 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.624 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' CA ' ' NE2' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -81.67 -44.13 17.56 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.28 -0.887 . . . . 0.0 109.367 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.701 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -42.82 -47.91 5.62 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.554 -0.716 . . . . 0.0 109.77 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.1 -30.15 66.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.869 . . . . 0.0 109.936 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' O ' ' C ' ' A' ' 14' ' ' CGU . 45.9 ttp180 -86.3 -30.46 22.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.047 -1.033 . . . . 0.0 109.973 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.488 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.594 ' CD2' ' O ' ' A' ' 12' ' ' ALA . 4.6 pp -53.33 -30.42 39.14 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.3 -0.875 . . . . 0.0 108.814 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -46.08 -21.65 0.16 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' LEU . 73.6 m-80 -157.14 92.56 1.26 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.7 tt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.148 0.499 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.8 t30 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 121.113 0.482 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.831 -179.57 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 121.204 0.526 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.23 -30.43 66.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.243 -0.91 . . . . 0.0 110.101 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.103 -0.998 . . . . 0.0 109.525 -179.736 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.2 pp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.734 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -43.94 -29.24 0.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 0.0 109.357 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ALA . 35.7 t30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.379 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.161 0.505 . . . . 0.0 109.964 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.143 -0.973 . . . . 0.0 109.705 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' ALA . 23.9 t30 . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.258 0.551 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' PHE . 15.9 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 11.7 t80 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.346 0.593 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.535 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -65.12 -37.83 88.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.159 -0.963 . . . . 0.0 109.874 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 109.645 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.313 0.578 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.85 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.16 -30.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.539 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 16' ' ' ALA . 57.1 t30 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.38 -0.825 . . . . 0.0 109.58 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.284 0.564 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.171 -0.956 . . . . 0.0 109.724 -179.643 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.8 t30 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.57 -179.828 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.306 0.574 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.96 24.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 109.692 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.828 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.828 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -48.43 -35.24 12.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 109.483 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.129 -0.982 . . . . 0.0 109.385 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.199 0.523 . . . . 0.0 109.598 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' ALA . 31.0 t30 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.337 0.589 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 109.308 -179.677 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -61.14 -29.3 69.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.423 -0.798 . . . . 0.0 109.602 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.78 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.867 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.28 -20.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.406 -0.809 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' LEU . 47.0 t30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.358 0.599 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.106 -0.996 . . . . 0.0 109.676 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' ALA . 6.9 t-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.407 ' C ' ' N ' ' A' ' 11' ' ' PHE . 1.7 tp-100 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.348 -0.845 . . . . 0.0 109.628 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.5 t80 . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.217 0.532 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.581 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.63 -46.44 46.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 109.969 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 120.991 -1.068 . . . . 0.0 109.582 -179.775 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.781 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.781 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -48.22 -40.0 22.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.845 . . . . 0.0 109.639 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.1 t30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.211 -0.93 . . . . 0.0 109.583 -179.798 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.218 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 t30 . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 121.316 0.579 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.933 . . . . 0.0 109.66 -179.767 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.207 0.527 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.586 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.02 -32.9 63.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.311 -0.868 . . . . 0.0 109.867 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 8.5 mmp_? . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.057 -1.027 . . . . 0.0 109.944 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.4 pp . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.37 -42.63 7.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.275 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.1 t30 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' ALA . 29.7 t30 . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 121.106 0.479 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.181 -0.949 . . . . 0.0 109.851 -179.483 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 t80 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.07 0.462 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' HD21 ' A' ' 15' ' ' LEU . . . -78.55 -35.2 46.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.235 -0.916 . . . . 0.0 109.605 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.587 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.667 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.82 -30.44 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.368 -0.833 . . . . 0.0 109.639 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.0 109.56 -179.867 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 0.0 109.775 -179.688 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t30 . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.92 . . . . 0.0 109.383 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.56 -51.34 8.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.738 -1.226 . . . . 0.0 111.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' ALA . 19.8 mmt180 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.199 -0.938 . . . . 0.0 111.134 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.766 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -45.74 -39.84 8.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.486 -0.758 . . . . 0.0 109.472 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 109.562 -179.857 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.29 0.567 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.584 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' ALA . 26.1 t30 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 121.349 0.595 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 -179.322 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 t80 . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.341 0.591 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.07 -37.26 66.87 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.661 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.0 pp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.25 -26.25 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.472 -0.767 . . . . 0.0 109.502 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.441 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.0 tt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.298 0.571 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.644 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.3 t30 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.268 0.556 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 110.035 -179.449 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.7 t80 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.288 0.565 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -81.64 -35.02 30.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.081 -1.012 . . . . 0.0 109.561 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.738 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.03 -31.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.439 -0.788 . . . . 0.0 109.582 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 0.0 109.359 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.1 tt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.252 0.548 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.253 -0.904 . . . . 0.0 109.719 -179.579 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.466 0.65 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.488 1.431 0 O-C-N 121.416 -0.802 . . . . 0.0 110.072 -179.527 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.284 0.564 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.651 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -49.45 -41.9 41.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.381 -0.825 . . . . 0.0 111.507 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 N--CA 1.495 1.778 0 O-C-N 120.565 -1.334 . . . . 0.0 111.719 -178.348 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.1 pp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.813 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.18 -26.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 0.0 109.547 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' ALA . 12.6 t-20 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.3 tt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 9' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.341 -0.85 . . . . 0.0 109.672 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 121.305 0.574 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 17.5 pt20 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 13.4 t80 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.252 0.548 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.21 -33.87 63.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -0.916 . . . . 0.0 109.898 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.84 -179.571 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.824 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.13 -43.56 15.0 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.545 ' C ' ' O ' ' A' ' 16' ' ' ALA . 22.6 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.617 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.173 0.511 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.739 -179.478 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.141 0.496 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.18 -0.95 . . . . 0.0 110.129 -179.325 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.254 0.55 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -80.0 -36.71 35.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.267 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.033 -1.042 . . . . 0.0 109.904 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.5 pp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.822 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.61 -17.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.752 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 15' ' ' LEU . 36.8 m-20 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.0 109.594 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.1 tt . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 109.608 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t30 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 121.392 0.615 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 109.624 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 121.068 0.461 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.57 -26.21 59.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 110.088 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.975 -1.078 . . . . 0.0 110.065 -179.652 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.843 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -49.06 -43.79 41.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.456 -0.778 . . . . 0.0 109.488 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.343 -0.848 . . . . 0.0 109.425 -179.835 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.1 tt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 121.263 0.554 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.307 -0.871 . . . . 0.0 109.412 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t30 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.382 0.611 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.528 ' OE1' ' O ' ' A' ' 9' ' ' GLN . 2.0 tp-100 . . . . . 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 0.0 109.135 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.256 0.551 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -76.77 -33.74 58.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.309 -0.869 . . . . 0.0 109.741 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.09 -1.006 . . . . 0.0 109.525 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 16' ' ' ALA . 3.8 pp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.795 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.15 -13.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.433 -0.792 . . . . 0.0 109.454 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-80 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.526 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.7 tt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.125 0.488 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.132 -0.98 . . . . 0.0 109.684 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' N ' ' C ' ' A' ' 6' ' ' ALA . 23.8 t30 . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 121.327 0.584 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 0.0 109.668 -179.659 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 121.326 0.584 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -69.04 -26.27 64.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.014 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.101 -1.0 . . . . 0.0 109.86 -179.65 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.4 pp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.815 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -47.72 -41.23 22.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.542 -0.724 . . . . 0.0 109.199 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.428 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.239 0.542 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.666 -179.641 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 t30 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 121.391 0.615 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.381 -0.824 . . . . 0.0 109.928 -179.434 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.3 t80 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.106 0.479 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.53 68.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 109.772 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.544 -179.459 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.616 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.34 -15.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.91 . . . . 0.0 109.517 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.577 ' N ' ' O ' ' A' ' 15' ' ' LEU . 74.0 m-20 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.229 0.538 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.15 -0.969 . . . . 0.0 109.936 -179.356 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 t30 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 11' ' ' PHE . 16.3 pt20 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 9' ' ' GLN . 12.8 t80 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.22 0.533 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -72.76 -42.34 64.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.969 . . . . 0.0 110.02 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.109 -0.994 . . . . 0.0 109.975 -179.554 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.909 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.5 pp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.909 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -49.08 -34.52 13.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 0.0 109.333 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.643 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.9 tt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.238 0.542 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.647 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 6' ' ' ALA . 30.4 t30 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 121.213 0.53 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.28 -0.887 . . . . 0.0 109.367 -179.89 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 121.32 0.581 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.1 -30.15 66.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.869 . . . . 0.0 109.936 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 16' ' ' ALA . 45.9 ttp180 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.047 -1.033 . . . . 0.0 109.973 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.08 -21.65 0.16 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' LEU . 73.6 m-80 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.04 -7.04 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -1.119 . . . . 0.0 109.53 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.486 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.459 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.61 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.7 tt -49.8 -44.15 48.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 0.0 110.01 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.91 -46.37 15.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.029 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.514 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.8 t30 -42.75 -46.02 5.0 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.004 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.75 ' CG ' ' HN2' ' A' ' 10' ' ' CGU . 12.2 pt20 -85.24 -42.49 14.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.831 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.75 ' HN2' ' CG ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' CGU . 11.0 t80 -42.4 -44.94 4.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.485 -0.76 . . . . 0.0 109.878 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.23 -30.43 66.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.243 -0.91 . . . . 0.0 110.101 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' CGU . 3.8 tmt_? -86.36 -31.11 21.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.103 -0.998 . . . . 0.0 109.525 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.2 pp -49.36 -33.23 13.09 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.323 -0.861 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.734 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -43.94 -29.24 0.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 0.0 109.357 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ALA . 23.4 t-20 -55.74 -103.42 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.379 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.928 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -75.25 -14.15 60.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -1.128 . . . . 0.0 109.462 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.432 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.702 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -67.63 -31.25 71.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.964 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.67 -45.71 13.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.143 -0.973 . . . . 0.0 109.705 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -42.73 -48.43 5.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.01 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.83 ' CG ' ' HN2' ' A' ' 10' ' ' CGU . 15.9 pt20 -79.98 -43.88 21.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.83 ' HN2' ' CG ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 11.7 t80 -83.51 -43.73 15.44 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.599 -0.688 . . . . 0.0 110.158 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.535 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -65.12 -37.83 88.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.159 -0.963 . . . . 0.0 109.874 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -80.54 -22.95 40.36 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 109.645 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.91 -32.28 8.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.874 . . . . 0.0 109.538 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.85 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.16 -30.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.539 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 16' ' ' ALA . 57.1 t30 34.06 71.83 0.1 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.38 -0.825 . . . . 0.0 109.58 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.69 -7.32 25.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -1.14 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.489 OE12 OE22 ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.4 tt -59.32 -38.07 79.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.342 -0.849 . . . . 0.0 109.537 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.543 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.33 -34.48 31.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.171 -0.956 . . . . 0.0 109.724 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.543 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' CGU . 23.8 t30 -42.77 -47.58 5.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.8 -40.0 63.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.57 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CGU . 53.9 t80 -83.35 -26.09 30.83 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-O 121.306 0.574 . . . . 0.0 110.017 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.96 24.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' CGU . 39.9 ttm180 -83.86 -22.82 31.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 109.692 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.828 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.92 -33.28 10.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.828 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -48.43 -35.24 12.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 109.483 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -66.34 -50.84 62.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.129 -0.982 . . . . 0.0 109.385 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.77 -15.86 14.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -1.217 . . . . 0.0 109.144 179.854 . . . . . . . . 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 . . . . . 0.643 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -59.75 -25.82 65.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.208 -0.932 . . . . 0.0 109.598 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -82.27 -47.6 12.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 6' ' ' ALA . 31.0 t30 -43.38 -55.86 3.88 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.709 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -70.26 -32.73 70.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 109.308 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.722 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' CGU . 11.5 t80 -42.61 -42.66 3.49 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.44 -0.788 . . . . 0.0 109.384 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -61.14 -29.3 69.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.423 -0.798 . . . . 0.0 109.602 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' CGU . 17.6 mmt85 -85.99 -24.3 26.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.78 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.424 ' HG ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.82 -33.91 11.41 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 108.815 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.867 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.28 -20.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.406 -0.809 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' LEU . 47.0 t30 -88.45 114.62 25.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.972 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.668 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 46.0 mp0 -77.76 -17.12 57.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.272 -1.134 . . . . 0.0 109.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.648 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt -58.66 -25.4 62.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 109.557 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.98 -43.66 17.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.106 -0.996 . . . . 0.0 109.676 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.537 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -42.98 -46.35 5.42 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.65 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -80.72 -51.9 8.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.348 -0.845 . . . . 0.0 109.628 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.5 t80 -83.39 -29.32 28.25 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 121.217 0.532 . . . . 0.0 110.362 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.581 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.63 -46.44 46.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 109.969 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' CGU . 31.1 mmt180 -74.28 -29.39 61.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.991 -1.068 . . . . 0.0 109.582 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.781 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp -48.12 -33.76 8.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.904 . . . . 0.0 109.105 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.781 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -48.22 -40.0 22.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.845 . . . . 0.0 109.639 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.01 -9.78 42.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.211 -0.93 . . . . 0.0 109.583 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -73.41 -11.25 60.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -1.132 . . . . 0.0 109.382 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -67.04 -37.32 83.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.58 -39.8 26.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.218 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.513 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -42.39 -49.36 5.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.87 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.643 ' HG3' ' HN2' ' A' ' 10' ' ' CGU . 17.5 pt20 -86.34 -33.22 20.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.933 . . . . 0.0 109.66 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.69 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' CGU . 28.9 t80 -42.87 -26.82 0.15 Allowed 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.543 -0.723 . . . . 0.0 109.658 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.586 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.02 -32.9 63.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.311 -0.868 . . . . 0.0 109.867 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 8.5 mmp_? -86.34 -28.58 23.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.057 -1.027 . . . . 0.0 109.944 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.4 pp -53.42 -32.17 48.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.229 -0.919 . . . . 0.0 108.749 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.37 -42.63 7.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.275 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -64.56 61.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 3' ' ' CGU . 90.2 mt-10 -46.3 -59.69 2.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -1.121 . . . . 0.0 109.688 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.445 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -59.71 -34.82 73.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.93 -43.37 15.32 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.52 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -42.68 -48.61 5.55 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.854 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -83.06 -34.16 26.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.181 -0.949 . . . . 0.0 109.851 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -84.32 -32.67 24.18 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.689 -0.632 . . . . 0.0 110.36 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' HD21 ' A' ' 15' ' ' LEU . . . -78.55 -35.2 46.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.235 -0.916 . . . . 0.0 109.605 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' C ' ' A' ' 14' ' ' CGU . 73.3 ttt180 -86.64 -23.01 25.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.481 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.979 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -48.19 -32.61 7.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.302 -0.874 . . . . 0.0 109.132 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.82 -30.44 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.368 -0.833 . . . . 0.0 109.639 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -149.56 -37.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.0 109.56 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' CGU . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -64.36 -3.28 2.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -1.132 . . . . 0.0 109.409 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.707 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.2 tt -60.47 -30.0 69.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.137 -0.977 . . . . 0.0 109.697 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.574 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.24 -38.82 21.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.587 ' O ' OE11 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -43.05 -49.41 6.14 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.917 ' CG ' ' HN2' ' A' ' 10' ' ' CGU . 13.1 pt20 -66.99 -45.9 76.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.92 . . . . 0.0 109.383 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.917 ' HN2' ' CG ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 10' ' ' CGU . 30.8 t80 -41.36 -25.83 0.05 OUTLIER 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.911 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 10' ' ' CGU . . . -80.56 -51.34 8.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.738 -1.226 . . . . 0.0 111.033 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' ALA . 19.8 mmt180 -82.84 -24.14 33.42 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.199 -0.938 . . . . 0.0 111.134 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.734 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp -53.61 -30.03 40.61 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.766 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -45.74 -39.84 8.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.486 -0.758 . . . . 0.0 109.472 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -69.55 -92.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 109.562 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.917 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 57.3 mp0 -77.46 6.4 7.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -1.112 . . . . 0.0 109.462 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.669 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt -53.18 -40.34 64.3 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.243 -0.91 . . . . 0.0 109.603 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.55 -44.15 19.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.519 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -42.98 -50.54 5.86 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.683 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' CGU . 2.8 tt0 -76.06 -47.9 22.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -81.81 -36.22 28.61 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.707 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.07 -37.26 66.87 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 14' ' ' CGU . 77.8 ttt180 -82.0 -24.01 35.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.661 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.461 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.0 pp -51.94 -31.53 29.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.447 -0.783 . . . . 0.0 109.052 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.25 -26.25 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.472 -0.767 . . . . 0.0 109.502 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -103.57 -60.83 1.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.441 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.543 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 1.9 pp20? -44.08 -20.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -1.106 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.518 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.565 ' O ' OE12 ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.0 tt -49.92 -36.48 27.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.48 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.99 -43.11 18.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.644 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.535 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -43.09 -49.37 6.27 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.714 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 10' ' ' CGU . 15.3 pt20 -80.48 -34.51 35.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 110.035 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.475 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.7 t80 -84.23 -27.7 27.77 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.783 -0.573 . . . . 0.0 110.007 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -81.64 -35.02 30.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' CGU . 38.0 ttm180 -83.31 -24.89 31.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.081 -1.012 . . . . 0.0 109.561 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp -51.54 -32.03 26.47 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.349 -0.844 . . . . 0.0 109.041 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.738 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.03 -31.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.439 -0.788 . . . . 0.0 109.582 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -123.62 -78.12 0.6 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 3' ' ' CGU . 1.7 pp20? -59.52 -32.33 70.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -1.135 . . . . 0.0 109.514 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.696 ' C ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.667 ' N ' OE22 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.1 tt -66.56 -27.34 67.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 109.639 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.83 -36.21 28.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -0.904 . . . . 0.0 109.719 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.582 ' CD1' OE21 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -43.45 -53.65 5.3 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.466 0.65 . . . . 0.0 109.555 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 10' ' ' CGU . 6.2 tt0 -66.22 -45.57 80.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.416 -0.802 . . . . 0.0 110.072 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.565 ' O ' OE21 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' HA ' ' CD1' ' A' ' 14' ' ' CGU . 38.1 t80 -49.37 -54.15 18.8 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 121.284 0.564 . . . . 0.0 111.498 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.651 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -49.45 -41.9 41.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.381 -0.825 . . . . 0.0 111.507 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 14' ' ' CGU . 26.4 mmt180 -87.91 -45.94 9.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.565 -1.334 . . . . 0.0 111.719 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.69 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.1 pp -48.23 -34.22 9.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.813 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.18 -26.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 0.0 109.547 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' ALA . 12.6 t-20 41.24 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.48 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -46.24 -23.81 0.39 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.283 -1.128 . . . . 0.0 109.534 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.3 tt -51.47 -31.12 22.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.06 -42.65 20.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.341 -0.85 . . . . 0.0 109.672 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -42.98 -53.73 4.61 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.305 0.574 . . . . 0.0 109.767 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.823 ' HG3' ' HN2' ' A' ' 10' ' ' CGU . 17.5 pt20 -77.76 -35.84 51.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.823 ' HN2' ' HG3' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 13.4 t80 -81.33 -39.3 25.36 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.716 -0.615 . . . . 0.0 110.051 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.21 -33.87 63.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -0.916 . . . . 0.0 109.898 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' CGU . 22.4 mmt-85 -84.59 -23.33 29.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.84 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -51.73 -32.14 29.24 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.365 -0.834 . . . . 0.0 108.772 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.824 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.13 -43.56 15.0 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.545 ' C ' ' O ' ' A' ' 16' ' ' ALA . 22.6 t-20 33.55 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.617 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -66.89 -23.19 65.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.722 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.686 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt -57.4 -35.3 69.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.681 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.08 -35.8 25.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.739 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.507 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -42.7 -47.74 5.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 10' ' ' CGU . 23.6 pt20 -86.04 -33.9 20.88 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.18 -0.95 . . . . 0.0 110.129 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.494 OE12 OE21 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -83.73 -28.8 27.99 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.729 -0.607 . . . . 0.0 110.301 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -80.0 -36.71 35.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.267 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -23.92 26.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.033 -1.042 . . . . 0.0 109.904 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.5 pp -48.18 -33.24 8.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.318 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.822 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.61 -17.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.752 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 15' ' ' LEU . 36.8 m-20 -116.63 57.83 0.77 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.0 109.594 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.833 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 3' ' ' CGU . 58.2 mm-40 -57.96 -36.84 73.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.184 -1.186 . . . . 0.0 109.545 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.702 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.596 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.1 tt -63.09 -28.67 70.23 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.212 -0.93 . . . . 0.0 109.458 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -79.79 -36.23 37.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 109.608 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.509 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -42.49 -49.57 5.32 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.39 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' CGU . 6.2 tt0 -73.02 -46.41 52.22 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 109.624 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.644 ' CD1' ' O ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' CGU . 6.6 t80 -42.43 -35.91 1.16 Allowed 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.496 -0.752 . . . . 0.0 110.119 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.57 -26.21 59.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 110.088 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' CGU . 5.4 mmm180 -86.34 -34.75 20.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.975 -1.078 . . . . 0.0 110.065 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.519 ' N ' OE11 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.48 -34.08 10.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.247 -0.908 . . . . 0.0 108.896 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.843 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -49.06 -43.79 41.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.456 -0.778 . . . . 0.0 109.488 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -97.69 -116.92 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -0.848 . . . . 0.0 109.425 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 2.1 pp20? -82.01 -15.29 54.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.163 -1.198 . . . . 0.0 109.45 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.468 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.66 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.1 tt -56.87 -38.48 72.79 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.245 -0.909 . . . . 0.0 109.551 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -79.8 -39.23 31.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.307 -0.871 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.521 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -42.53 -48.57 5.34 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.382 0.611 . . . . 0.0 109.393 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.528 ' OE1' ' O ' ' A' ' 9' ' ' GLN . 2.0 tp-100 -75.35 -39.74 58.99 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 0.0 109.135 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -83.75 -30.45 26.65 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 121.256 0.551 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -76.77 -33.74 58.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.309 -0.869 . . . . 0.0 109.741 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -86.16 -23.17 26.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.09 -1.006 . . . . 0.0 109.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 16' ' ' ALA . 3.8 pp -48.25 -33.58 8.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.067 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.795 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.15 -13.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.433 -0.792 . . . . 0.0 109.454 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 31.4 m120 -102.2 -101.53 0.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.526 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.801 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 1.9 pp20? -82.19 -18.26 43.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -1.203 . . . . 0.0 109.474 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.7 tt -51.34 -40.16 58.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.853 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.58 -46.32 14.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.132 -0.98 . . . . 0.0 109.684 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.535 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -42.76 -50.85 5.54 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.676 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 10' ' ' CGU . 15.4 pt20 -76.09 -39.08 56.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 0.0 109.668 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.709 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' CGU . 5.7 t80 -43.85 -40.03 4.23 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.559 -0.713 . . . . 0.0 109.858 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -69.04 -26.27 64.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.014 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 14' ' ' CGU . 29.1 ttm180 -85.99 -30.42 22.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.101 -1.0 . . . . 0.0 109.86 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.474 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.4 pp -48.3 -33.79 9.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.317 -0.865 . . . . 0.0 108.789 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.815 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -47.72 -41.23 22.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.542 -0.724 . . . . 0.0 109.199 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.89 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.18 -19.8 46.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.279 -1.13 . . . . 0.0 109.411 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.69 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt -51.86 -25.42 7.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.202 -0.936 . . . . 0.0 109.576 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.98 -41.7 20.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.666 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.516 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -42.67 -49.69 5.55 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.391 0.615 . . . . 0.0 109.589 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -73.98 -45.63 48.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.381 -0.824 . . . . 0.0 109.928 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -82.07 -50.1 9.46 Favored 'General case' 0 C--N 1.285 -2.197 0 O-C-N 121.744 -0.597 . . . . 0.0 110.319 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.53 68.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 109.772 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 14' ' ' CGU . 24.9 mmt85 -86.83 -22.71 25.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.544 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.492 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.736 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -48.47 -34.66 11.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.109 -0.994 . . . . 0.0 109.233 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.34 -15.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.91 . . . . 0.0 109.517 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.577 ' N ' ' O ' ' A' ' 15' ' ' LEU . 74.0 m-20 -129.43 -128.28 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.55 1.77 0.34 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.302 -1.116 . . . . 0.0 109.543 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.636 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt -52.0 -37.73 54.27 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.792 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.39 -39.75 20.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.15 -0.969 . . . . 0.0 109.936 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.515 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -43.21 -53.49 5.05 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.004 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.912 ' HG3' ' HN2' ' A' ' 10' ' ' CGU . 16.3 pt20 -84.16 -48.68 9.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.912 ' HN2' ' HG3' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 9' ' ' GLN . 12.8 t80 -83.57 -31.11 26.51 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.22 0.533 . . . . 0.0 110.243 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -72.76 -42.34 64.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.969 . . . . 0.0 110.02 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' CGU . 78.0 ttt180 -84.87 -23.21 29.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.109 -0.994 . . . . 0.0 109.975 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.909 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.5 pp -48.74 -31.74 7.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.146 -0.971 . . . . 0.0 108.881 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.909 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -49.08 -34.52 13.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 0.0 109.333 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -73.09 75.11 1.24 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 7.5 mp0 -80.55 -43.39 20.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -1.144 . . . . 0.0 109.382 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.698 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.9 tt -50.68 -39.08 50.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.267 -0.896 . . . . 0.0 109.747 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.81 -43.07 18.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.647 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.513 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -42.23 -46.57 4.5 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.624 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' CGU . 14.2 tp60 -81.67 -44.13 17.56 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.28 -0.887 . . . . 0.0 109.367 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.701 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -42.82 -47.91 5.62 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.554 -0.716 . . . . 0.0 109.77 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.1 -30.15 66.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.869 . . . . 0.0 109.936 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' O ' ' C ' ' A' ' 14' ' ' CGU . 45.9 ttp180 -86.3 -30.46 22.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.047 -1.033 . . . . 0.0 109.973 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.488 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -53.33 -30.42 39.14 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.3 -0.875 . . . . 0.0 108.814 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.08 -21.65 0.16 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' LEU . 73.6 m-80 -157.14 92.56 1.26 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.7 tt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.148 0.499 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.8 t30 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 121.113 0.482 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.831 -179.57 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 121.204 0.526 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.23 -30.43 66.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.243 -0.91 . . . . 0.0 110.101 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.103 -0.998 . . . . 0.0 109.525 -179.736 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.2 pp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.734 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -43.94 -29.24 0.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 0.0 109.357 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ALA . 35.7 t30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.379 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.161 0.505 . . . . 0.0 109.964 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.143 -0.973 . . . . 0.0 109.705 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' ALA . 23.9 t30 . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.258 0.551 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' PHE . 2.1 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 11.7 t80 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.346 0.593 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.535 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -65.12 -37.83 88.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.159 -0.963 . . . . 0.0 109.874 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 109.645 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.313 0.578 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.85 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.16 -30.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.539 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 16' ' ' ALA . 57.1 t30 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.38 -0.825 . . . . 0.0 109.58 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.284 0.564 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.171 -0.956 . . . . 0.0 109.724 -179.643 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.8 t30 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.57 -179.828 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.306 0.574 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.96 24.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 109.692 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.828 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.828 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -48.43 -35.24 12.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 109.483 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.129 -0.982 . . . . 0.0 109.385 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.199 0.523 . . . . 0.0 109.598 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' ALA . 31.0 t30 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.337 0.589 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 109.308 -179.677 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -61.14 -29.3 69.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.423 -0.798 . . . . 0.0 109.602 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.78 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.867 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.28 -20.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.406 -0.809 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' LEU . 47.0 t30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.358 0.599 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.106 -0.996 . . . . 0.0 109.676 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 6' ' ' ALA . 6.9 t-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.44 HE22 ' HG2' ' A' ' 13' ' ' ARG . 12.7 tp60 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.348 -0.845 . . . . 0.0 109.628 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.5 t80 . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.217 0.532 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.581 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.63 -46.44 46.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 109.969 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HG2' HE22 ' A' ' 9' ' ' GLN . 31.1 mmt180 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 120.991 -1.068 . . . . 0.0 109.582 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.781 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.781 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -48.22 -40.0 22.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.845 . . . . 0.0 109.639 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.1 t30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.211 -0.93 . . . . 0.0 109.583 -179.798 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.218 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 t30 . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 121.316 0.579 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.933 . . . . 0.0 109.66 -179.767 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.207 0.527 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.586 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.02 -32.9 63.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.311 -0.868 . . . . 0.0 109.867 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 8.5 mmp_? . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.057 -1.027 . . . . 0.0 109.944 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.4 pp . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.37 -42.63 7.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.275 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.1 t30 . . . . . 0 N--CA 1.487 1.415 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' ALA . 29.7 t30 . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 121.106 0.479 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.181 -0.949 . . . . 0.0 109.851 -179.483 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 t80 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.07 0.462 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' HD21 ' A' ' 15' ' ' LEU . . . -78.55 -35.2 46.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.235 -0.916 . . . . 0.0 109.605 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.587 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.667 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.82 -30.44 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.368 -0.833 . . . . 0.0 109.639 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.0 109.56 -179.867 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.182 0.515 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 0.0 109.775 -179.688 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t30 . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.92 . . . . 0.0 109.383 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.56 -51.34 8.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.738 -1.226 . . . . 0.0 111.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' ALA . 19.8 mmt180 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.199 -0.938 . . . . 0.0 111.134 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.766 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -45.74 -39.84 8.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.486 -0.758 . . . . 0.0 109.472 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.569 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 109.562 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.29 0.567 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.584 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 6' ' ' ALA . 26.1 t30 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 121.349 0.595 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 -179.322 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 t80 . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 121.341 0.591 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.07 -37.26 66.87 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.661 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.0 pp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.25 -26.25 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.472 -0.767 . . . . 0.0 109.502 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.441 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.0 tt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.298 0.571 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.42 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.644 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.3 t30 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.268 0.556 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 110.035 -179.449 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.7 t80 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.288 0.565 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -81.64 -35.02 30.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.081 -1.012 . . . . 0.0 109.561 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.738 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.03 -31.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.439 -0.788 . . . . 0.0 109.582 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 0.0 109.359 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.1 tt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.252 0.548 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.253 -0.904 . . . . 0.0 109.719 -179.579 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 121.466 0.65 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.488 1.431 0 O-C-N 121.416 -0.802 . . . . 0.0 110.072 -179.527 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.284 0.564 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.651 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -49.45 -41.9 41.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.381 -0.825 . . . . 0.0 111.507 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 N--CA 1.495 1.778 0 O-C-N 120.565 -1.334 . . . . 0.0 111.719 -178.348 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.1 pp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.813 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.18 -26.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 0.0 109.547 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' ALA . 12.6 t-20 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.3 tt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 9' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.341 -0.85 . . . . 0.0 109.672 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 121.305 0.574 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 17.5 pt20 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 13.4 t80 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.252 0.548 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.21 -33.87 63.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -0.916 . . . . 0.0 109.898 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.84 -179.571 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.824 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.13 -43.56 15.0 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.545 ' C ' ' O ' ' A' ' 16' ' ' ALA . 22.6 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.617 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.173 0.511 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.739 -179.478 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.141 0.496 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.18 -0.95 . . . . 0.0 110.129 -179.325 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.254 0.55 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -80.0 -36.71 35.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.267 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.033 -1.042 . . . . 0.0 109.904 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.5 pp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.822 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.61 -17.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.752 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.615 HD22 ' C ' ' A' ' 16' ' ' ALA . 3.2 m120 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.0 109.594 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.1 tt . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 109.608 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t30 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 121.392 0.615 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 109.624 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 121.068 0.461 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.57 -26.21 59.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 110.088 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.975 -1.078 . . . . 0.0 110.065 -179.652 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.843 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -49.06 -43.79 41.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.456 -0.778 . . . . 0.0 109.488 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.614 HD22 ' N ' ' A' ' 17' ' ' ASN . 1.5 m120 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.343 -0.848 . . . . 0.0 109.425 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.1 tt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 121.263 0.554 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.307 -0.871 . . . . 0.0 109.412 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t30 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.382 0.611 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.679 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 11.6 tp60 . . . . . 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 0.0 109.135 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.256 0.551 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -76.77 -33.74 58.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.309 -0.869 . . . . 0.0 109.741 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.09 -1.006 . . . . 0.0 109.525 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 16' ' ' ALA . 3.8 pp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.795 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.15 -13.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.433 -0.792 . . . . 0.0 109.454 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-80 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.526 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.7 tt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.125 0.488 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.132 -0.98 . . . . 0.0 109.684 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' N ' ' C ' ' A' ' 6' ' ' ALA . 23.8 t30 . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 121.327 0.584 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 0.0 109.668 -179.659 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 121.326 0.584 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -69.04 -26.27 64.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.014 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.101 -1.0 . . . . 0.0 109.86 -179.65 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.4 pp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.815 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -47.72 -41.23 22.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.542 -0.724 . . . . 0.0 109.199 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.428 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.239 0.542 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.666 -179.641 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 t30 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 121.391 0.615 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.381 -0.824 . . . . 0.0 109.928 -179.434 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.3 t80 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.106 0.479 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.53 68.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 109.772 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.544 -179.459 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.616 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.34 -15.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.91 . . . . 0.0 109.517 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.577 ' N ' ' O ' ' A' ' 15' ' ' LEU . 74.0 m-20 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.229 0.538 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.15 -0.969 . . . . 0.0 109.936 -179.356 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 t30 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 121.268 0.556 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 11' ' ' PHE . 16.3 pt20 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 9' ' ' GLN . 12.8 t80 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.22 0.533 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -72.76 -42.34 64.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.969 . . . . 0.0 110.02 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.109 -0.994 . . . . 0.0 109.975 -179.554 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.909 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.5 pp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.909 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -49.08 -34.52 13.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 0.0 109.333 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.643 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.9 tt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.238 0.542 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 8' ' ' ASN . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.647 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 6' ' ' ALA . 30.4 t30 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 121.213 0.53 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.28 -0.887 . . . . 0.0 109.367 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 t80 . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 121.32 0.581 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.1 -30.15 66.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.869 . . . . 0.0 109.936 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 16' ' ' ALA . 45.9 ttp180 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.047 -1.033 . . . . 0.0 109.973 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.08 -21.65 0.16 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' LEU . 73.6 m-80 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.04 -7.04 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -1.119 . . . . 0.0 109.53 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.486 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.459 ' C ' ' O ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.61 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.7 tt -49.8 -44.15 48.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 0.0 110.01 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.91 -46.37 15.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.029 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.514 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 6' ' ' ALA . 25.8 t30 -42.75 -46.02 5.0 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.004 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.75 ' CG ' ' HN2' ' A' ' 10' ' ' CGU . 12.2 pt20 -85.24 -42.49 14.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.831 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.75 ' HN2' ' CG ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' CGU . 11.0 t80 -42.4 -44.94 4.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.485 -0.76 . . . . 0.0 109.878 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.23 -30.43 66.51 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.243 -0.91 . . . . 0.0 110.101 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' CGU . 3.8 tmt_? -86.36 -31.11 21.69 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.103 -0.998 . . . . 0.0 109.525 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.2 pp -49.36 -33.23 13.09 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.323 -0.861 . . . . 0.0 109.267 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.734 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -43.94 -29.24 0.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 0.0 109.357 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ALA . 35.7 t30 -55.74 -103.42 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.379 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.928 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -75.25 -14.15 60.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -1.128 . . . . 0.0 109.462 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.432 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.702 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -67.63 -31.25 71.14 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.284 -0.885 . . . . 0.0 109.964 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.67 -45.71 13.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.143 -0.973 . . . . 0.0 109.705 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -42.73 -48.43 5.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.01 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.83 ' CG ' ' HN2' ' A' ' 10' ' ' CGU . 2.1 pt20 -79.98 -43.88 21.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.83 ' HN2' ' CG ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 11.7 t80 -83.51 -43.73 15.44 Favored 'General case' 0 C--N 1.287 -2.142 0 O-C-N 121.599 -0.688 . . . . 0.0 110.158 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.535 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -65.12 -37.83 88.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.159 -0.963 . . . . 0.0 109.874 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -80.54 -22.95 40.36 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 109.645 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.91 -32.28 8.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.874 . . . . 0.0 109.538 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.85 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.16 -30.37 0.76 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.539 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 16' ' ' ALA . 57.1 t30 34.06 71.83 0.1 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.38 -0.825 . . . . 0.0 109.58 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.69 -7.32 25.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -1.14 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.489 OE12 OE22 ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.4 tt -59.32 -38.07 79.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.342 -0.849 . . . . 0.0 109.537 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.543 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.33 -34.48 31.82 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.171 -0.956 . . . . 0.0 109.724 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.543 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' CGU . 23.8 t30 -42.77 -47.58 5.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.8 -40.0 63.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.444 -0.785 . . . . 0.0 109.57 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CGU . 53.9 t80 -83.35 -26.09 30.83 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-O 121.306 0.574 . . . . 0.0 110.017 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.96 24.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.87 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' CGU . 39.9 ttm180 -83.86 -22.82 31.55 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 109.692 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.828 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.92 -33.28 10.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.828 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -48.43 -35.24 12.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 0.0 109.483 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -66.34 -50.84 62.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.129 -0.982 . . . . 0.0 109.385 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.77 -15.86 14.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -1.217 . . . . 0.0 109.144 179.854 . . . . . . . . 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 . . . . . 0.643 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -59.75 -25.82 65.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.208 -0.932 . . . . 0.0 109.598 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -82.27 -47.6 12.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.143 -0.973 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 6' ' ' ALA . 31.0 t30 -43.38 -55.86 3.88 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.709 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -70.26 -32.73 70.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.359 -0.838 . . . . 0.0 109.308 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.722 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' CGU . 11.5 t80 -42.61 -42.66 3.49 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.44 -0.788 . . . . 0.0 109.384 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -61.14 -29.3 69.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.423 -0.798 . . . . 0.0 109.602 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' CGU . 17.6 mmt85 -85.99 -24.3 26.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 0.0 109.78 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.424 ' HG ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.82 -33.91 11.41 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 108.815 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.867 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.28 -20.61 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.406 -0.809 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' LEU . 47.0 t30 -88.45 114.62 25.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.529 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.972 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.668 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 46.0 mp0 -77.76 -17.12 57.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.272 -1.134 . . . . 0.0 109.397 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.648 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt -58.66 -25.4 62.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 109.557 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.98 -43.66 17.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.106 -0.996 . . . . 0.0 109.676 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.537 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -42.98 -46.35 5.42 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.65 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.44 HE22 ' HG2' ' A' ' 13' ' ' ARG . 12.7 tp60 -80.72 -51.9 8.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.348 -0.845 . . . . 0.0 109.628 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.5 t80 -83.39 -29.32 28.25 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 121.217 0.532 . . . . 0.0 110.362 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.581 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.63 -46.44 46.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -0.919 . . . . 0.0 109.969 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HG2' HE22 ' A' ' 9' ' ' GLN . 31.1 mmt180 -74.28 -29.39 61.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.991 -1.068 . . . . 0.0 109.582 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.781 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp -48.12 -33.76 8.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.904 . . . . 0.0 109.105 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.781 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -48.22 -40.0 22.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.845 . . . . 0.0 109.639 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.01 -9.78 42.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.211 -0.93 . . . . 0.0 109.583 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -73.41 -11.25 60.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -1.132 . . . . 0.0 109.382 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -67.04 -37.32 83.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.58 -39.8 26.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.218 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.513 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -42.39 -49.36 5.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.87 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.643 ' HG3' ' HN2' ' A' ' 10' ' ' CGU . 17.5 pt20 -86.34 -33.22 20.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.933 . . . . 0.0 109.66 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.69 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' CGU . 28.9 t80 -42.87 -26.82 0.15 Allowed 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.543 -0.723 . . . . 0.0 109.658 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.586 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.02 -32.9 63.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.311 -0.868 . . . . 0.0 109.867 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 8.5 mmp_? -86.34 -28.58 23.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.057 -1.027 . . . . 0.0 109.944 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.4 pp -53.42 -32.17 48.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.229 -0.919 . . . . 0.0 108.749 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.625 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.37 -42.63 7.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.423 -0.798 . . . . 0.0 109.275 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -64.56 61.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.329 -0.857 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 3' ' ' CGU . 90.2 mt-10 -46.3 -59.69 2.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -1.121 . . . . 0.0 109.688 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.445 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -59.71 -34.82 73.4 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.93 -43.37 15.32 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.52 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -42.68 -48.61 5.55 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.854 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -83.06 -34.16 26.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.181 -0.949 . . . . 0.0 109.851 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -84.32 -32.67 24.18 Favored 'General case' 0 C--N 1.289 -2.024 0 O-C-N 121.689 -0.632 . . . . 0.0 110.36 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' HD21 ' A' ' 15' ' ' LEU . . . -78.55 -35.2 46.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.235 -0.916 . . . . 0.0 109.605 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' O ' ' C ' ' A' ' 14' ' ' CGU . 73.3 ttt180 -86.64 -23.01 25.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.481 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.979 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -48.19 -32.61 7.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.302 -0.874 . . . . 0.0 109.132 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.82 -30.44 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.368 -0.833 . . . . 0.0 109.639 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -149.56 -37.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.0 109.56 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' CGU . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -64.36 -3.28 2.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -1.132 . . . . 0.0 109.409 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.707 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.2 tt -60.47 -30.0 69.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.137 -0.977 . . . . 0.0 109.697 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.574 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.24 -38.82 21.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 0.0 109.775 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.587 ' O ' OE11 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -43.05 -49.41 6.14 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.917 ' CG ' ' HN2' ' A' ' 10' ' ' CGU . 1.0 OUTLIER -66.99 -45.9 76.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.92 . . . . 0.0 109.383 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.917 ' HN2' ' CG ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 10' ' ' CGU . 30.8 t80 -41.36 -25.83 0.05 OUTLIER 'General case' 0 C--N 1.288 -2.081 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.911 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 10' ' ' CGU . . . -80.56 -51.34 8.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.738 -1.226 . . . . 0.0 111.033 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' ALA . 19.8 mmt180 -82.84 -24.14 33.42 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.199 -0.938 . . . . 0.0 111.134 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.734 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp -53.61 -30.03 40.61 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.766 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -45.74 -39.84 8.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.486 -0.758 . . . . 0.0 109.472 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.569 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -69.55 -92.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.291 -0.881 . . . . 0.0 109.562 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.917 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 57.3 mp0 -77.46 6.4 7.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -1.112 . . . . 0.0 109.462 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.669 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt -53.18 -40.34 64.3 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.243 -0.91 . . . . 0.0 109.603 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -80.55 -44.15 19.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.519 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -42.98 -50.54 5.86 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.683 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' CGU . 2.8 tt0 -76.06 -47.9 22.88 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.918 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -81.81 -36.22 28.61 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.707 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' HD23 ' A' ' 15' ' ' LEU . . . -73.07 -37.26 66.87 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 14' ' ' CGU . 77.8 ttt180 -82.0 -24.01 35.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.0 109.661 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.461 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.721 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.0 pp -51.94 -31.53 29.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.447 -0.783 . . . . 0.0 109.052 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.25 -26.25 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.472 -0.767 . . . . 0.0 109.502 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -103.57 -60.83 1.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.441 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.543 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 1.9 pp20? -44.08 -20.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -1.106 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.518 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.565 ' O ' OE12 ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.0 tt -49.92 -36.48 27.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.48 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.99 -43.11 18.45 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.905 . . . . 0.0 109.644 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.535 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -43.09 -49.37 6.27 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.714 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 10' ' ' CGU . 15.3 pt20 -80.48 -34.51 35.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 110.035 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.475 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 14.7 t80 -84.23 -27.7 27.77 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 121.783 -0.573 . . . . 0.0 110.007 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -81.64 -35.02 30.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 109.924 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 14' ' ' CGU . 38.0 ttm180 -83.31 -24.89 31.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.081 -1.012 . . . . 0.0 109.561 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.3 pp -51.54 -32.03 26.47 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.349 -0.844 . . . . 0.0 109.041 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.738 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.03 -31.24 0.87 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.439 -0.788 . . . . 0.0 109.582 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -123.62 -78.12 0.6 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' CD ' ' N ' ' A' ' 3' ' ' CGU . 1.7 pp20? -59.52 -32.33 70.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.27 -1.135 . . . . 0.0 109.514 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.696 ' C ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.667 ' N ' OE22 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.601 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.1 tt -66.56 -27.34 67.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.375 -0.828 . . . . 0.0 109.639 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.83 -36.21 28.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -0.904 . . . . 0.0 109.719 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.582 ' CD1' OE21 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -43.45 -53.65 5.3 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.466 0.65 . . . . 0.0 109.555 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 10' ' ' CGU . 6.2 tt0 -66.22 -45.57 80.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.416 -0.802 . . . . 0.0 110.072 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.565 ' O ' OE21 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' HA ' ' CD1' ' A' ' 14' ' ' CGU . 38.1 t80 -49.37 -54.15 18.8 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 121.284 0.564 . . . . 0.0 111.498 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.651 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -49.45 -41.9 41.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.381 -0.825 . . . . 0.0 111.507 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 14' ' ' CGU . 26.4 mmt180 -87.91 -45.94 9.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.565 -1.334 . . . . 0.0 111.719 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.69 ' CD2' ' C ' ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.1 pp -48.23 -34.22 9.88 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.813 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.18 -26.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 0.0 109.547 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' ALA . 12.6 t-20 41.24 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.48 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -46.24 -23.81 0.39 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.283 -1.128 . . . . 0.0 109.534 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.3 tt -51.47 -31.12 22.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.06 -42.65 20.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.341 -0.85 . . . . 0.0 109.672 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.525 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -42.98 -53.73 4.61 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.305 0.574 . . . . 0.0 109.767 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.823 ' HG3' ' HN2' ' A' ' 10' ' ' CGU . 17.5 pt20 -77.76 -35.84 51.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.823 ' HN2' ' HG3' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 13.4 t80 -81.33 -39.3 25.36 Favored 'General case' 0 C--N 1.286 -2.162 0 O-C-N 121.716 -0.615 . . . . 0.0 110.051 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.21 -33.87 63.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -0.916 . . . . 0.0 109.898 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' CGU . 22.4 mmt-85 -84.59 -23.33 29.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.84 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.824 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -51.73 -32.14 29.24 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.365 -0.834 . . . . 0.0 108.772 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.824 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.13 -43.56 15.0 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.545 ' C ' ' O ' ' A' ' 16' ' ' ALA . 22.6 t-20 33.55 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.425 -0.797 . . . . 0.0 109.617 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -66.89 -23.19 65.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.722 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.686 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.2 tt -57.4 -35.3 69.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.681 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.08 -35.8 25.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.739 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.507 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -42.7 -47.74 5.42 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 10' ' ' CGU . 23.6 pt20 -86.04 -33.9 20.88 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.18 -0.95 . . . . 0.0 110.129 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.494 OE12 OE21 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -83.73 -28.8 27.99 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.729 -0.607 . . . . 0.0 110.301 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -80.0 -36.71 35.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.267 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -23.92 26.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.033 -1.042 . . . . 0.0 109.904 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.5 pp -48.18 -33.24 8.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.318 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.822 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -44.61 -17.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.364 -0.835 . . . . 0.0 109.752 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.615 HD22 ' C ' ' A' ' 16' ' ' ALA . 3.2 m120 -116.63 57.83 0.77 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.0 109.594 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.833 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 3' ' ' CGU . 58.2 mm-40 -57.96 -36.84 73.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.184 -1.186 . . . . 0.0 109.545 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.702 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.596 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.1 tt -63.09 -28.67 70.23 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.212 -0.93 . . . . 0.0 109.458 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -79.79 -36.23 37.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 109.608 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.509 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -42.49 -49.57 5.32 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.39 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' CGU . 1.2 tt0 -73.02 -46.41 52.22 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 109.624 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.644 ' CD1' ' O ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' CGU . 6.6 t80 -42.43 -35.91 1.16 Allowed 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.496 -0.752 . . . . 0.0 110.119 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -74.57 -26.21 59.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.197 -0.939 . . . . 0.0 110.088 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' CGU . 5.4 mmm180 -86.34 -34.75 20.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.975 -1.078 . . . . 0.0 110.065 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.519 ' N ' OE11 ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -48.48 -34.08 10.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.247 -0.908 . . . . 0.0 108.896 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.843 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -49.06 -43.79 41.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.456 -0.778 . . . . 0.0 109.488 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.614 HD22 ' N ' ' A' ' 17' ' ' ASN . 1.5 m120 -97.69 -116.92 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -0.848 . . . . 0.0 109.425 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 2.1 pp20? -82.01 -15.29 54.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.163 -1.198 . . . . 0.0 109.45 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.468 ' O ' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.66 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.1 tt -56.87 -38.48 72.79 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.245 -0.909 . . . . 0.0 109.551 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -79.8 -39.23 31.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.307 -0.871 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.521 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -42.53 -48.57 5.34 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.382 0.611 . . . . 0.0 109.393 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.679 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 11.6 tp60 -75.35 -39.74 58.99 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 0.0 109.135 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -83.75 -30.45 26.65 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-O 121.256 0.551 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -76.77 -33.74 58.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.309 -0.869 . . . . 0.0 109.741 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -86.16 -23.17 26.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.09 -1.006 . . . . 0.0 109.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 16' ' ' ALA . 3.8 pp -48.25 -33.58 8.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.067 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.795 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.15 -13.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.433 -0.792 . . . . 0.0 109.454 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' LEU . 65.7 m-80 -102.2 -101.53 0.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.526 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.801 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 1.9 pp20? -82.19 -18.26 43.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -1.203 . . . . 0.0 109.474 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.7 tt -51.34 -40.16 58.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.853 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.58 -46.32 14.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.132 -0.98 . . . . 0.0 109.684 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.535 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -42.76 -50.85 5.54 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.676 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 10' ' ' CGU . 2.1 pt20 -76.09 -39.08 56.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 0.0 109.668 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.709 ' C ' ' CD1' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' CGU . 5.7 t80 -43.85 -40.03 4.23 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.559 -0.713 . . . . 0.0 109.858 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -69.04 -26.27 64.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 110.014 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 14' ' ' CGU . 29.1 ttm180 -85.99 -30.42 22.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.101 -1.0 . . . . 0.0 109.86 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.474 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.4 pp -48.3 -33.79 9.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.317 -0.865 . . . . 0.0 108.789 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.815 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -47.72 -41.23 22.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.542 -0.724 . . . . 0.0 109.199 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -56.89 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.351 -0.843 . . . . 0.0 109.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -80.18 -19.8 46.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.279 -1.13 . . . . 0.0 109.411 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.69 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.769 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt -51.86 -25.42 7.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.202 -0.936 . . . . 0.0 109.576 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.516 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.98 -41.7 20.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.666 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.516 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -42.67 -49.69 5.55 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.391 0.615 . . . . 0.0 109.589 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -73.98 -45.63 48.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.381 -0.824 . . . . 0.0 109.928 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -82.07 -50.1 9.46 Favored 'General case' 0 C--N 1.285 -2.197 0 O-C-N 121.744 -0.597 . . . . 0.0 110.319 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.53 68.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 109.772 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 14' ' ' CGU . 24.9 mmt85 -86.83 -22.71 25.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.281 -0.887 . . . . 0.0 110.544 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.492 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.736 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -48.47 -34.66 11.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.109 -0.994 . . . . 0.0 109.233 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -44.34 -15.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.91 . . . . 0.0 109.517 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.577 ' N ' ' O ' ' A' ' 15' ' ' LEU . 74.0 m-20 -129.43 -128.28 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.55 1.77 0.34 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.302 -1.116 . . . . 0.0 109.543 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.636 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.6 tt -52.0 -37.73 54.27 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.792 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -83.39 -39.75 20.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.15 -0.969 . . . . 0.0 109.936 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.515 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -43.21 -53.49 5.05 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.004 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.912 ' HG3' ' HN2' ' A' ' 10' ' ' CGU . 16.3 pt20 -84.16 -48.68 9.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.299 -0.876 . . . . 0.0 110.403 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.912 ' HN2' ' HG3' ' A' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 9' ' ' GLN . 12.8 t80 -83.57 -31.11 26.51 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.22 0.533 . . . . 0.0 110.243 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -72.76 -42.34 64.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.969 . . . . 0.0 110.02 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' CGU . 78.0 ttt180 -84.87 -23.21 29.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.109 -0.994 . . . . 0.0 109.975 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.909 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.5 pp -48.74 -31.74 7.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.146 -0.971 . . . . 0.0 108.881 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.909 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -49.08 -34.52 13.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 0.0 109.333 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -73.09 75.11 1.24 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 7.5 mp0 -80.55 -43.39 20.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.256 -1.144 . . . . 0.0 109.382 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.698 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.9 tt -50.68 -39.08 50.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.267 -0.896 . . . . 0.0 109.747 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 7' ' ' CGU . . . -81.81 -43.07 18.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.953 . . . . 0.0 109.647 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.513 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -42.23 -46.57 4.5 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.624 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -81.67 -44.13 17.56 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.28 -0.887 . . . . 0.0 109.367 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.701 ' CD1' ' C ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -42.82 -47.91 5.62 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.554 -0.716 . . . . 0.0 109.77 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 15' ' ' LEU . . . -58.1 -30.15 66.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.869 . . . . 0.0 109.936 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' O ' ' C ' ' A' ' 14' ' ' CGU . 45.9 ttp180 -86.3 -30.46 22.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.047 -1.033 . . . . 0.0 109.973 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.488 ' C ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 16' ' ' ALA . 4.6 pp -53.33 -30.42 39.14 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.3 -0.875 . . . . 0.0 108.814 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -46.08 -21.65 0.16 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' LEU . 73.6 m-80 -157.14 92.56 1.26 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_