data_5tbq_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 5tbq _Structure_validation_residue.Date_analyzed 2017-06-23 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 108.549 -0.908 . . . . 1.15 108.549 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.231 -0.655 . . . . 1.0 109.231 179.552 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.9 mttp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.013 -0.736 . . . . 0.47 109.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.431 -0.793 . . . . 0.63 109.953 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 107.698 -1.223 . . . . 0.58 107.698 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.499 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -58.69 -30.15 67.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.503 -0.748 . . . . 0.39 109.123 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.3 mtm180 . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.22 -0.925 . . . . 0.47 110.401 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.598 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.771 0.32 . . . . 0.46 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.752 -1.218 . . . . 0.54 110.091 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 108.223 -1.028 . . . . 1.15 108.223 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 179.467 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mttp . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.302 0.572 . . . . 0.47 109.605 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.63 110.207 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 107.565 -1.272 . . . . 0.58 107.565 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.299 -1.0 . . . . 0.39 108.299 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.429 -0.794 . . . . 0.47 109.923 179.595 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.628 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.3 mp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.648 0.261 . . . . 0.46 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.495 1.782 0 O-C-N 120.723 -1.235 . . . . 0.54 108.448 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 109.596 -0.52 . . . . 1.15 109.596 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.961 0.41 . . . . 0.47 110.718 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.114 -0.991 . . . . 0.63 109.526 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.62 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 108.009 -1.108 . . . . 0.58 108.009 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.496 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -61.08 -26.9 67.97 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.67 -0.644 . . . . 0.39 109.584 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.47 110.08 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.62 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.168 -0.308 . . . . 0.46 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.873 -1.142 . . . . 0.54 108.822 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.599 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.091 -0.707 . . . . 1.15 109.091 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.599 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 108.678 -0.86 . . . . 1.0 108.678 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 108.997 -0.742 . . . . 0.47 108.997 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.847 -0.533 . . . . 0.63 110.383 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.626 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 107.576 -1.268 . . . . 0.58 107.576 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.56 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.84 -23.9 63.76 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.787 -1.19 . . . . 0.39 107.787 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.603 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.877 -0.786 . . . . 0.47 108.877 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.626 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 5.8 mp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.81 0.338 . . . . 0.46 110.204 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.772 0 O-C-N 120.865 -1.147 . . . . 0.54 108.379 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 108.45 -0.944 . . . . 1.15 108.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.609 -0.682 . . . . 1.0 109.408 179.286 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mttp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 108.938 -0.764 . . . . 0.47 108.938 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.601 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.612 -0.68 . . . . 0.63 110.686 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.679 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 N-CA-C 107.758 -1.201 . . . . 0.58 107.758 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -55.57 -41.87 73.92 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.379 -0.825 . . . . 0.39 109.041 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 72.9 mtm-85 . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.227 -0.921 . . . . 0.47 110.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.679 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.579 -0.897 . . . . 0.46 108.579 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 107.9 -1.148 . . . . 0.54 107.9 178.071 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 108.702 -0.851 . . . . 1.15 108.702 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 179.511 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.043 -0.725 . . . . 0.47 109.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.553 -0.717 . . . . 0.63 109.799 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.61 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 108.435 -0.95 . . . . 0.58 108.435 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -59.33 -43.79 92.67 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.722 -0.844 . . . . 0.39 108.722 178.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.279 -0.888 . . . . 0.47 110.409 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.61 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.289 0.09 . . . . 0.46 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.496 1.856 0 O-C-N 120.535 -1.353 . . . . 0.54 108.494 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 108.499 -0.926 . . . . 1.15 108.499 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 178.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.728 -0.842 . . . . 0.47 108.728 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-N 116.19 -0.459 . . . . 0.63 110.533 -179.601 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.673 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 107.758 -1.201 . . . . 0.58 107.758 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.76 -39.43 74.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.289 -0.882 . . . . 0.39 108.992 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.207 -0.933 . . . . 0.47 109.339 179.794 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.673 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.03 -0.73 . . . . 0.46 109.03 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.653 -0.869 . . . . 0.54 108.653 178.585 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.436 -0.95 . . . . 1.15 108.436 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 179.068 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.829 -0.804 . . . . 0.47 108.829 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.854 -0.529 . . . . 0.63 110.114 179.65 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.606 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 108.107 -1.072 . . . . 0.58 108.107 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.562 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -59.61 -32.17 70.16 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.336 -0.853 . . . . 0.39 108.834 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.255 -0.903 . . . . 0.47 109.493 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.606 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.541 0.21 . . . . 0.46 110.821 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.937 0 O-C-N 120.854 -1.154 . . . . 0.54 108.386 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 108.497 -0.927 . . . . 1.15 108.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.544 -0.723 . . . . 1.0 109.357 179.425 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.066 -0.716 . . . . 0.47 109.066 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.59 -0.694 . . . . 0.63 110.453 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.048 . . . . 0.58 108.169 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -58.92 -43.46 91.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.549 -0.719 . . . . 0.39 109.18 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 . . . . . 0 N--CA 1.495 1.811 0 O-C-N 120.998 -1.064 . . . . 0.47 110.458 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 111.447 0.166 . . . . 0.46 111.447 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.54 109.176 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 107.96 -1.126 . . . . 1.15 107.96 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.153 -0.684 . . . . 1.0 109.153 179.169 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.727 -0.842 . . . . 0.47 108.727 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.646 -0.659 . . . . 0.63 110.18 179.689 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.582 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 108.443 -0.947 . . . . 0.58 108.443 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.552 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.37 -42.55 91.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.671 -0.863 . . . . 0.39 108.671 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.328 -0.858 . . . . 0.47 110.096 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.582 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 111.493 0.183 . . . . 0.46 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.499 2.018 0 O-C-N 120.412 -1.43 . . . . 0.54 108.623 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.599 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 109.655 -0.498 . . . . 1.15 109.655 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.599 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.752 . . . . 1.0 109.207 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.134 -0.691 . . . . 0.47 109.134 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.65 -0.656 . . . . 0.63 110.1 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.683 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.166 -1.05 . . . . 0.58 108.166 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.457 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -57.16 -40.3 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.39 109.324 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.39 -0.819 . . . . 0.47 109.58 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.683 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.439 -0.578 . . . . 0.46 109.439 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.121 -1.066 . . . . 0.54 108.121 178.671 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 108.498 -0.927 . . . . 1.15 108.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 108.988 -0.745 . . . . 1.0 108.988 179.194 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.531 -0.915 . . . . 0.47 108.531 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.699 -0.626 . . . . 0.63 110.058 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 107.702 -1.221 . . . . 0.58 107.702 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -53.56 -37.84 63.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.228 -0.92 . . . . 0.39 109.21 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 36.4 mtm180 . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.47 110.129 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.094 0.473 . . . . 0.46 110.075 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.967 0 O-C-N 121.152 -0.968 . . . . 0.54 111.366 -178.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 108.887 -0.783 . . . . 1.15 108.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.617 -0.677 . . . . 1.0 109.346 179.721 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.524 -0.917 . . . . 0.47 108.524 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.74 -0.6 . . . . 0.63 109.982 179.677 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 108.042 -1.096 . . . . 0.58 108.042 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.17 -37.97 65.05 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.383 -0.823 . . . . 0.39 109.548 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 O-C-N 121.071 -1.018 . . . . 0.47 110.277 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.357 -0.609 . . . . 0.46 109.357 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.048 . . . . 0.54 109.025 179.364 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 108.099 -1.074 . . . . 1.15 108.099 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.141 -0.689 . . . . 1.0 109.141 179.206 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.304 0.573 . . . . 0.47 109.719 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.572 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.63 110.452 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 107.264 -1.384 . . . . 0.58 107.264 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.06 -44.5 91.83 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.26 -1.015 . . . . 0.39 108.26 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 9' ' ' ALA . 10.6 mtm-85 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.47 109.841 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 6.3 mp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.603 0.24 . . . . 0.46 110.506 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.754 0 O-C-N 120.756 -1.215 . . . . 0.54 108.257 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 3.4 pp . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 108.789 -0.819 . . . . 1.15 108.789 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.509 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 108.753 -0.832 . . . . 1.0 108.753 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.561 -0.903 . . . . 0.47 108.561 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.519 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.764 -0.585 . . . . 0.63 109.716 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.674 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 107.756 -1.201 . . . . 0.58 107.756 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -55.45 -38.49 69.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.289 -0.882 . . . . 0.39 109.215 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 33.1 mtm180 . . . . . 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.47 109.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.674 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 108.664 -0.865 . . . . 0.46 108.664 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.3 -1.0 . . . . 0.54 108.3 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 108.9 -0.778 . . . . 1.15 108.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.299 -0.876 . . . . 1.0 109.082 179.304 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.103 0.478 . . . . 0.47 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.63 109.674 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.629 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 107.769 -1.197 . . . . 0.58 107.769 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.549 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -58.58 -30.77 67.43 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.262 -0.644 . . . . 0.39 109.262 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.6 mtm180 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 120.936 -1.102 . . . . 0.47 110.188 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.629 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.592 0.234 . . . . 0.46 110.37 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.493 1.722 0 O-C-N 120.798 -1.189 . . . . 0.54 108.254 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.609 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.2 pp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.969 0.414 . . . . 1.15 110.203 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.609 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.252 -0.905 . . . . 1.0 108.918 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.469 0.652 . . . . 0.47 109.852 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.63 109.455 179.744 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 107.261 -1.385 . . . . 0.58 107.261 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.95 -19.68 53.33 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.885 -0.783 . . . . 0.39 108.885 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.47 108.861 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.645 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.675 0.274 . . . . 0.46 110.391 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.496 1.829 0 O-C-N 120.811 -1.181 . . . . 0.54 108.562 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.1 pp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.611 -0.514 . . . . 1.15 109.611 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.596 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.649 -0.657 . . . . 1.0 109.256 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.076 -0.713 . . . . 0.47 109.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.622 -0.674 . . . . 0.63 110.592 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 108.182 -1.044 . . . . 0.58 108.182 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.532 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -56.23 -32.3 64.32 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.375 -0.828 . . . . 0.39 109.774 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.077 . . . . 0.47 109.983 -179.791 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.612 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.991 -0.374 . . . . 0.46 109.991 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.54 108.09 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.772 -0.455 . . . . 1.15 109.772 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 1.0 109.653 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.555 0.693 . . . . 0.47 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.642 -0.661 . . . . 0.63 110.31 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.66 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 107.979 -1.119 . . . . 0.58 107.979 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.49 -37.05 64.83 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.397 -0.814 . . . . 0.39 109.334 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 . . . . . 0 N--CA 1.495 1.783 0 O-C-N 121.087 -1.008 . . . . 0.47 109.38 179.656 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.66 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.331 -0.618 . . . . 0.46 109.331 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.162 -0.961 . . . . 0.54 108.53 178.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 108.902 -0.777 . . . . 1.15 108.902 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 179.51 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.47 108.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.557 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.677 -0.639 . . . . 0.63 110.357 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.68 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 107.428 -1.323 . . . . 0.58 107.428 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.52 -41.89 77.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.476 -0.89 . . . . 0.39 108.849 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 73.8 mtm-85 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 121.185 -0.947 . . . . 0.47 109.942 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.68 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 108.566 -0.901 . . . . 0.46 108.566 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.12 -1.067 . . . . 0.54 108.12 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.495 2.583 0 N-CA-C 109.342 -1.503 . . . . 0.83 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' CGU . 37.7 tt0 -52.03 -53.98 35.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.296 -1.12 . . . . 0.78 110.411 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.404 ' HB3' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp -80.66 -43.17 20.83 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.549 -0.908 . . . . 1.15 108.549 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.98 -50.83 63.35 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.231 -0.655 . . . . 1.0 109.231 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -60.15 -48.04 83.4 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.013 -0.736 . . . . 0.47 109.013 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -59.58 -38.31 80.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.431 -0.793 . . . . 0.63 109.953 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.471 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.27 -36.58 84.14 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.698 -1.223 . . . . 0.58 107.698 178.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.499 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -58.69 -30.15 67.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.503 -0.748 . . . . 0.39 109.123 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.3 mtm180 -78.74 -63.61 1.37 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.22 -0.925 . . . . 0.47 110.401 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.471 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.598 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp -85.3 -13.86 48.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.773 -1.205 . . . . 0.46 110.877 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -72.16 -37.04 69.44 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.752 -1.218 . . . . 0.54 110.091 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.518 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.17 -7.42 29.91 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.922 -1.111 . . . . 0.84 110.547 -179.126 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -77.73 36.75 0.22 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.961 -1.087 . . . . 1.02 109.658 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.528 0 O-C-N 119.575 -1.953 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.496 2.637 0 N-CA-C 109.35 -1.5 . . . . 0.83 109.35 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 3' ' ' CGU . 13.9 tp10 -58.49 -52.09 67.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.293 -1.122 . . . . 0.78 110.125 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.405 ' HB3' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' GLU . 5.8 mp -83.78 -47.32 11.27 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.223 -1.028 . . . . 1.15 108.223 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -47.97 44.37 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 1.0 109.074 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -63.84 -42.03 97.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.52 -0.738 . . . . 0.47 109.605 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.59 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.63 110.207 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.59 -41.69 73.75 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.565 -1.272 . . . . 0.58 107.565 178.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.299 -1.0 . . . . 0.39 108.299 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -62.96 -46.17 89.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.429 -0.794 . . . . 0.47 109.923 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.416 ' O ' ' CG ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.628 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.3 mp -72.78 -37.28 67.65 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.736 -1.227 . . . . 0.46 110.389 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -71.69 -26.7 62.62 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.723 -1.235 . . . . 0.54 108.448 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.582 HD21 ' C ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -83.4 -36.35 24.35 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.063 -0.717 . . . . 0.84 109.063 179.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.416 ' CG ' ' O ' ' A' ' 14' ' ' CGU . 15.2 m-30 -70.13 -47.88 59.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.183 -0.948 . . . . 1.02 109.739 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.321 -2.112 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.428 0 N-CA-C 109.188 -1.565 . . . . 0.83 109.188 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -79.46 -37.38 37.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.54 -0.977 . . . . 0.78 109.681 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.47 ' HG ' ' CD1' ' 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 . . . . . 0.615 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -55.99 -47.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.296 -0.877 . . . . 1.15 109.596 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . -49.34 -44.4 44.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -59.31 -42.28 91.02 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.47 110.718 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.08 -42.23 69.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.114 -0.991 . . . . 0.63 109.526 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.462 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.62 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.59 -34.81 79.14 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.009 -1.108 . . . . 0.58 108.009 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -61.08 -26.9 67.97 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.67 -0.644 . . . . 0.39 109.584 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -83.08 -64.01 1.25 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.47 110.08 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.462 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.62 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp -74.85 -26.55 59.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.715 -1.241 . . . . 0.46 110.168 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -78.84 -42.23 28.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.873 -1.142 . . . . 0.54 108.822 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.532 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -78.72 -13.24 59.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.84 109.068 179.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' CGU . 59.4 t80 -70.91 -46.87 61.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.541 -0.724 . . . . 1.02 109.986 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.349 -2.094 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' N ' OE11 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.493 2.442 0 N-CA-C 110.402 -1.079 . . . . 0.83 110.402 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 40.9 tt0 -52.25 -56.8 12.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.526 -0.985 . . . . 0.78 111.255 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.582 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -59.69 -46.54 88.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.302 -0.874 . . . . 1.15 109.091 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.599 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . -53.7 -51.43 63.3 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.678 -0.86 . . . . 1.0 108.678 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.506 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -48.81 73.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.997 -0.742 . . . . 0.47 108.997 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.33 78.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.847 -0.533 . . . . 0.63 110.383 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.626 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.43 -39.69 95.17 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.576 -1.268 . . . . 0.58 107.576 178.594 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.84 -23.9 63.76 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.787 -1.19 . . . . 0.39 107.787 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.603 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -84.0 -63.31 1.37 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.877 -0.786 . . . . 0.47 108.877 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.626 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 5.8 mp -79.9 -21.91 43.39 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.984 -1.072 . . . . 0.46 110.204 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -76.89 -34.56 57.75 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.865 -1.147 . . . . 0.54 108.379 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.552 ' OD1' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -92.76 3.74 55.07 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.33 -0.856 . . . . 0.84 109.228 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -48.9 29.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.289 -0.882 . . . . 1.02 110.296 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.307 -2.12 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.788 0 N-CA-C 109.418 -1.473 . . . . 0.83 109.418 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -44.3 -57.72 3.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.832 -0.805 . . . . 0.78 110.382 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.403 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.414 OE22 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -54.77 -49.04 71.85 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.45 -0.944 . . . . 1.15 108.45 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -50.79 68.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.609 -0.682 . . . . 1.0 109.408 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.403 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' NZ ' OE22 ' A' ' 4' ' ' CGU . 36.8 mttp -57.88 -44.74 86.87 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.938 -0.764 . . . . 0.47 108.938 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.601 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . -57.04 -43.91 82.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.612 -0.68 . . . . 0.63 110.686 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.42 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.679 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.81 -38.73 79.25 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.758 -1.201 . . . . 0.58 107.758 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -55.57 -41.87 73.92 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.379 -0.825 . . . . 0.39 109.041 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 72.9 mtm-85 -62.0 -64.39 0.95 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.227 -0.921 . . . . 0.47 110.024 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.44 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.679 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -67.53 -47.42 69.95 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.225 -0.922 . . . . 0.46 108.579 179.341 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.4 86.49 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.9 -1.148 . . . . 0.54 107.9 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.568 ' C ' HD21 ' A' ' 17' ' ' ASN . 0.3 OUTLIER -70.73 -38.75 73.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.207 -1.034 . . . . 0.84 108.207 178.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 14' ' ' CGU . 20.8 m-30 -75.38 -50.49 15.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.388 -0.82 . . . . 1.02 109.456 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.246 0 O-C-N 119.228 -2.17 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.466 0 N-CA-C 109.078 -1.609 . . . . 0.83 109.078 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.648 ' CD ' ' H ' ' A' ' 3' ' ' CGU . 0.0 OUTLIER -79.94 -43.09 22.76 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.355 -1.085 . . . . 0.78 109.651 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.648 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.73 -46.01 17.85 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.702 -0.851 . . . . 1.15 108.702 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.1 -49.67 50.87 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -59.59 -45.13 92.82 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.043 -0.725 . . . . 0.47 109.043 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.78 82.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.553 -0.717 . . . . 0.63 109.799 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.459 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.61 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.13 -34.55 72.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.673 -1.267 . . . . 0.58 108.435 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -59.33 -43.79 92.67 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.722 -0.844 . . . . 0.39 108.722 178.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 -60.96 -63.33 1.34 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.279 -0.888 . . . . 0.47 110.409 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.459 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.61 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp -75.37 -41.03 57.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.545 -1.347 . . . . 0.46 110.811 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -63.97 -30.28 71.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.535 -1.353 . . . . 0.54 108.494 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.472 HD21 ' C ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -91.12 -29.32 17.35 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.358 -0.839 . . . . 0.84 109.042 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' CGU . 64.0 t80 -64.55 -46.49 82.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.301 -0.874 . . . . 1.02 109.307 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.824 -1.797 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.51 ' N ' OE22 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 110.412 -1.075 . . . . 0.83 110.412 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.82 -57.82 8.21 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.537 -0.978 . . . . 0.78 111.495 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.432 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.582 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -48.3 78.45 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.499 -0.926 . . . . 1.15 108.499 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.6 65.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -47.74 68.95 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.728 -0.842 . . . . 0.47 108.728 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.51 -52.26 64.28 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 116.19 -0.459 . . . . 0.63 110.533 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.443 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.673 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.07 -42.61 98.81 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.758 -1.201 . . . . 0.58 107.758 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.76 -39.43 74.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.289 -0.882 . . . . 0.39 108.992 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.58 -63.95 1.1 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.207 -0.933 . . . . 0.47 109.339 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.673 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -66.82 -43.8 82.82 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.261 -0.899 . . . . 0.46 109.03 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.65 72.85 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.653 -0.869 . . . . 0.54 108.653 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.573 ' C ' HD21 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -84.55 -36.94 21.8 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.404 -0.919 . . . . 0.84 108.525 178.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' CGU . 25.1 t80 -67.45 -42.44 83.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 1.02 109.378 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.303 -2.123 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' N ' OE21 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.494 2.523 0 N-CA-C 109.75 -1.34 . . . . 0.83 109.75 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -47.82 -57.03 6.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.522 -0.987 . . . . 0.78 110.847 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.437 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.46 OE21 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.28 -45.94 92.41 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.436 -0.95 . . . . 1.15 108.436 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.74 53.36 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.437 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.6 82.25 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.829 -0.804 . . . . 0.47 108.829 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.05 75.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.854 -0.529 . . . . 0.63 110.114 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.457 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.606 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.46 -38.93 93.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.885 -1.134 . . . . 0.58 108.107 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.562 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -59.61 -32.17 70.16 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.336 -0.853 . . . . 0.39 108.834 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -71.97 -63.79 1.07 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.255 -0.903 . . . . 0.47 109.493 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.457 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.606 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp -83.11 -16.86 45.13 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.762 -1.211 . . . . 0.46 110.821 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -65.72 -48.03 73.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.854 -1.154 . . . . 0.54 108.386 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.11 -27.81 65.92 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.128 -1.064 . . . . 0.84 108.128 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 67.2 t80 -77.95 -53.31 7.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.808 -0.558 . . . . 1.02 109.668 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.357 -2.089 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' H2 ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.498 2.813 0 N-CA-C 108.51 -1.836 . . . . 0.83 108.51 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.742 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -39.33 -49.27 1.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 122.051 -0.676 . . . . 0.78 110.135 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.525 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.447 ' C ' ' HZ3' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.78 -46.94 11.66 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.497 -0.927 . . . . 1.15 108.497 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.65 -49.52 67.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.544 -0.723 . . . . 1.0 109.357 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.461 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HZ3' ' C ' ' A' ' 4' ' ' CGU . 40.3 mttp -58.24 -42.7 86.94 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.066 -0.716 . . . . 0.47 109.066 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -43.01 97.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.59 -0.694 . . . . 0.63 110.453 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.437 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.94 -35.79 71.61 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.001 -1.062 . . . . 0.58 108.169 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -58.92 -43.46 91.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.549 -0.719 . . . . 0.39 109.18 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -61.29 -62.99 1.44 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.998 -1.064 . . . . 0.47 110.458 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.437 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 6.1 mp -86.71 -37.55 17.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.859 -1.151 . . . . 0.46 111.447 -178.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -74.38 -28.96 61.34 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.54 109.176 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -93.38 2.56 56.48 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.495 -0.928 . . . . 0.84 108.495 179.276 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.87 -44.32 85.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 1.02 109.89 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.432 0 O-C-N 119.406 -2.058 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' N ' OE12 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.813 -1.315 . . . . 0.83 109.813 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' CGU . 34.6 tt0 -64.75 -50.3 67.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.494 -1.003 . . . . 0.78 111.082 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.51 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.34 -46.1 74.44 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.96 -1.126 . . . . 1.15 107.96 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.93 66.98 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.153 -0.684 . . . . 1.0 109.153 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.401 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -55.31 -45.28 76.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.727 -0.842 . . . . 0.47 108.727 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.52 -50.08 68.7 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.646 -0.659 . . . . 0.63 110.18 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.442 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.582 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.45 -34.86 73.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.786 -1.197 . . . . 0.58 108.443 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.552 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.37 -42.55 91.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.671 -0.863 . . . . 0.39 108.671 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -60.75 -62.82 1.58 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.328 -0.858 . . . . 0.47 110.096 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.442 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.582 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp -84.14 -40.31 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.809 -1.182 . . . . 0.46 111.493 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -63.89 -27.46 69.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.412 -1.43 . . . . 0.54 108.623 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.87 -11.61 38.72 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.679 -0.859 . . . . 0.84 108.679 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -75.63 -54.87 6.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 1.02 109.735 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.421 -2.05 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 109.27 -1.532 . . . . 0.83 109.27 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.692 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.3 pm0 -79.91 -18.64 50.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.623 -0.928 . . . . 0.78 110.029 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -52.68 -46.89 67.44 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.476 -0.765 . . . . 1.15 109.655 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.599 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . -53.64 -50.5 65.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.752 . . . . 1.0 109.207 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.485 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -57.03 -44.81 83.25 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.134 -0.691 . . . . 0.47 109.134 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.51 80.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.65 -0.656 . . . . 0.63 110.1 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.469 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.683 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.54 -42.83 93.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.808 -1.183 . . . . 0.58 108.166 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -57.16 -40.3 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.39 109.324 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.613 ' NH1' ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -61.05 -54.71 41.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.39 -0.819 . . . . 0.47 109.58 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.571 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.683 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -69.81 -50.49 42.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.871 . . . . 0.46 109.439 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.3 -27.6 69.15 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.121 -1.066 . . . . 0.54 108.121 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.613 ' OD1' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -85.55 -34.2 21.56 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.08 -1.081 . . . . 0.84 108.08 178.702 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.571 ' N ' ' O ' ' A' ' 14' ' ' CGU . 22.3 t80 -75.96 -51.55 12.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.749 -0.595 . . . . 1.02 109.413 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.375 -2.078 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.502 3.033 0 N-CA-C 108.71 -1.756 . . . . 0.83 108.71 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.752 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -38.07 -43.64 0.75 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 122.069 -0.666 . . . . 0.78 110.752 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.472 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -80.52 -45.03 18.14 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.498 -0.927 . . . . 1.15 108.498 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.07 -49.14 69.72 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.988 -0.745 . . . . 1.0 108.988 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -60.24 -47.29 86.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.531 -0.915 . . . . 0.47 108.531 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -55.4 -43.42 75.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.699 -0.626 . . . . 0.63 110.058 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.463 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.16 -41.39 96.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.729 -1.232 . . . . 0.58 107.702 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -53.56 -37.84 63.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.228 -0.92 . . . . 0.39 109.21 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 36.4 mtm180 -68.75 -63.8 0.99 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.47 110.129 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.536 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -88.27 -45.89 9.68 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.621 -0.674 . . . . 0.46 110.075 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.08 82.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.152 -0.968 . . . . 0.54 111.366 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.632 HD21 ' N ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -61.66 -8.65 4.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.583 -1.323 . . . . 0.84 110.846 -179.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.632 ' N ' HD21 ' A' ' 17' ' ' ASN . 14.5 m-85 -80.43 39.74 0.47 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.869 -1.144 . . . . 1.02 109.647 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.527 0 O-C-N 119.694 -1.879 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' N ' OE22 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.493 2.49 0 N-CA-C 108.723 -1.751 . . . . 0.83 108.723 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' CGU . 40.0 tt0 -67.99 -56.47 8.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.377 -1.072 . . . . 0.78 110.619 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.409 OE22 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.62 -44.54 12.52 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.887 -0.783 . . . . 1.15 108.887 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.26 -50.1 68.0 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.617 -0.677 . . . . 1.0 109.346 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 4' ' ' CGU . 0.0 OUTLIER -60.37 -46.18 90.86 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.524 -0.917 . . . . 0.47 108.524 178.639 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.38 75.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.74 -0.6 . . . . 0.63 109.982 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.465 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.02 -39.79 91.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.58 108.042 179.593 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.17 -37.97 65.05 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.383 -0.823 . . . . 0.39 109.548 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' NH1' ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -70.0 -63.31 1.11 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.071 -1.018 . . . . 0.47 110.277 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.465 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -79.85 -55.12 5.21 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.678 -0.639 . . . . 0.46 109.357 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.34 64.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.048 . . . . 0.54 109.025 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.611 ' OD1' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -92.02 -2.84 56.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -0.819 . . . . 0.84 108.909 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -63.5 -41.71 98.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 1.02 110.257 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.521 0 O-C-N 119.521 -1.987 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 109.081 -1.608 . . . . 0.83 109.081 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.762 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -39.2 -49.81 1.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 122.154 -0.615 . . . . 0.78 110.76 178.342 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.559 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.488 OE12 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.12 -47.72 76.15 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.099 -1.074 . . . . 1.15 108.099 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.41 -50.27 65.54 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.141 -0.689 . . . . 1.0 109.141 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.488 ' NZ ' OE12 ' A' ' 4' ' ' CGU . 21.1 mmtp -57.16 -44.69 83.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.523 -0.736 . . . . 0.47 109.719 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.572 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . -64.55 -37.72 88.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.63 110.452 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.7 -41.34 70.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 107.264 -1.384 . . . . 0.58 107.264 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.06 -44.5 91.83 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.26 -1.015 . . . . 0.39 108.26 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 9' ' ' ALA . 10.6 mtm-85 -62.65 -52.23 64.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.47 109.841 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.439 ' O ' ' CD2' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 6.3 mp -76.29 -31.4 58.2 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.839 -1.163 . . . . 0.46 110.506 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -78.86 -28.85 44.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.756 -1.215 . . . . 0.54 108.257 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.577 ' C ' HD21 ' A' ' 17' ' ' ASN . 0.3 OUTLIER -69.62 -36.9 76.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.312 -0.867 . . . . 0.84 109.219 179.349 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 14' ' ' CGU . 10.7 m-85 -76.0 28.07 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.035 -1.041 . . . . 1.02 109.342 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.425 ' HN1' ' C ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.455 -2.028 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.475 -1.45 . . . . 0.83 109.475 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 35.0 tt0 -68.03 -56.5 8.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.371 -1.076 . . . . 0.78 110.583 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.476 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.488 ' H ' ' CD2' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 3.4 pp -65.96 -42.36 90.06 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.015 -1.053 . . . . 1.15 108.789 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . -54.29 -51.83 63.37 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.753 -0.832 . . . . 1.0 108.753 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.416 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -45.9 90.47 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.561 -0.903 . . . . 0.47 108.561 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -58.88 -39.44 81.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.764 -0.585 . . . . 0.63 109.716 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.469 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.674 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.54 -40.21 90.69 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.756 -1.201 . . . . 0.58 107.756 179.111 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -55.45 -38.49 69.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.289 -0.882 . . . . 0.39 109.215 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 33.1 mtm180 -67.31 -64.05 0.93 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.47 109.84 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.481 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.674 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.5 -46.24 64.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.251 -0.906 . . . . 0.46 108.664 179.185 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' ALA . . . -56.7 -40.09 75.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.3 -1.0 . . . . 0.54 108.3 178.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.573 HD21 ' C ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -79.89 -36.2 36.88 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.134 -1.061 . . . . 0.84 108.134 178.349 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 14' ' ' CGU . 63.0 t80 -66.22 -46.26 77.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 1.02 109.072 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 119.63 -1.919 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.625 ' H2 ' ' CD2' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 109.662 -1.375 . . . . 0.83 109.662 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' CGU . 5.3 tm-20 -51.52 -48.21 63.04 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.673 -0.898 . . . . 0.78 110.633 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.625 ' CD2' ' H2 ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.16 -50.79 20.67 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.9 -0.778 . . . . 1.15 108.9 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.48 -47.5 27.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.299 -0.876 . . . . 1.0 109.082 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.422 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.28 -43.15 82.84 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.401 -0.812 . . . . 0.47 110.51 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -70.31 -35.19 73.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.63 109.674 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.481 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.629 ' CE1' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.57 -38.82 92.58 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 107.769 -1.197 . . . . 0.58 107.769 178.575 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.549 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -58.58 -30.77 67.43 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.262 -0.644 . . . . 0.39 109.262 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.6 mtm180 -77.02 -63.42 1.37 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.936 -1.102 . . . . 0.47 110.188 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.481 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp -74.62 -30.02 61.49 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.816 -1.178 . . . . 0.46 110.37 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -82.23 -33.54 29.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.798 -1.189 . . . . 0.54 108.254 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' NH2 . 1.2 t-20 -66.74 -38.16 86.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.142 -0.974 . . . . 0.84 108.969 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -67.65 52.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.061 -1.025 . . . . 1.02 109.327 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.548 -1.97 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.408 0 N-CA-C 109.506 -1.437 . . . . 0.83 109.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.637 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.56 -36.24 80.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.74 -0.859 . . . . 0.78 110.796 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.461 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.609 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.2 pp -55.84 -46.45 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.187 -0.946 . . . . 1.15 110.203 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.609 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . -49.89 -50.69 45.04 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.252 -0.905 . . . . 1.0 108.918 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.434 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -56.71 -48.7 77.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.47 109.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.34 97.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.63 109.455 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.456 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.59 -40.36 96.74 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.261 -1.385 . . . . 0.58 107.261 177.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.95 -19.68 53.33 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.885 -0.783 . . . . 0.39 108.885 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -63.82 1.26 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.47 108.861 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.456 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.645 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp -85.94 -15.28 42.11 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.964 -1.085 . . . . 0.46 110.391 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -65.63 -47.86 74.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.811 -1.181 . . . . 0.54 108.562 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -69.17 -35.04 75.88 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.271 -1.011 . . . . 0.84 108.271 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 65.2 t80 -73.75 -49.49 25.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.781 -0.575 . . . . 1.02 109.822 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.235 -2.165 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 N-CA-C 109.229 -1.548 . . . . 0.83 109.229 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 3' ' ' CGU . 0.0 OUTLIER -77.16 -40.62 44.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.966 . . . . 0.78 109.547 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.541 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.562 ' CD1' ' HZ3' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.1 pp -52.89 -46.83 68.16 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.298 -0.876 . . . . 1.15 109.611 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.596 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . -55.22 -54.21 46.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.649 -0.657 . . . . 1.0 109.256 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.434 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HZ3' ' CD1' ' A' ' 4' ' ' CGU . 45.3 mmtm -59.15 -46.31 88.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.076 -0.713 . . . . 0.47 109.076 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.3 86.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.622 -0.674 . . . . 0.63 110.592 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.436 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.77 -38.93 89.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.902 -1.124 . . . . 0.58 108.182 179.137 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -56.23 -32.3 64.32 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.375 -0.828 . . . . 0.39 109.774 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -76.83 -63.66 1.3 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.077 . . . . 0.47 109.983 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.436 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.612 ' CD2' ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp -86.85 -14.38 42.23 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.942 -1.099 . . . . 0.46 109.991 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -61.54 -47.35 85.98 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.54 108.09 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.93 -33.31 71.99 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.447 -0.946 . . . . 0.84 108.447 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -73.2 -49.73 26.42 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.744 -0.597 . . . . 1.02 109.889 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.383 -2.073 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.889 0 N-CA-C 108.496 -1.842 . . . . 0.83 108.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.739 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -45.13 -50.52 11.17 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 122.299 -0.53 . . . . 0.78 111.016 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.579 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.18 -54.17 49.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.586 -0.696 . . . . 1.15 109.772 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -51.64 45.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 1.0 109.653 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.464 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -57.24 -45.3 84.06 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.555 0.693 . . . . 0.47 109.243 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.47 91.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.642 -0.661 . . . . 0.63 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.444 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.66 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.65 -44.3 93.59 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.979 -1.119 . . . . 0.58 107.979 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.49 -37.05 64.83 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.397 -0.814 . . . . 0.39 109.334 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 20.0 ttm180 -65.45 -63.02 1.2 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.087 -1.008 . . . . 0.47 109.38 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.48 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.66 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -69.59 -46.93 65.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.433 -0.792 . . . . 0.46 109.331 179.475 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.47 71.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.162 -0.961 . . . . 0.54 108.53 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 13' ' ' ARG . 12.7 m-80 -78.8 -38.46 38.31 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.81 -0.756 . . . . 0.84 109.097 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' CGU . 65.3 t80 -68.4 -42.1 79.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.215 -0.928 . . . . 1.02 109.856 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.179 -2.2 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.585 0 N-CA-C 109.362 -1.495 . . . . 0.83 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.67 -56.08 25.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.417 -1.049 . . . . 0.78 110.52 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.38 -44.19 16.45 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.902 -0.777 . . . . 1.15 108.902 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.64 -49.67 64.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -60.34 -46.27 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.47 108.878 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.557 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . -54.78 -42.32 71.59 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.677 -0.639 . . . . 0.63 110.357 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CGU . . . . . 0.433 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.68 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.3 -37.9 78.88 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.428 -1.323 . . . . 0.58 107.428 179.291 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.52 -41.89 77.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.476 -0.89 . . . . 0.39 108.849 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 73.8 mtm-85 -61.47 -64.09 1.06 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.185 -0.947 . . . . 0.47 109.942 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CGU . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.68 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -68.62 -43.13 77.0 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.188 -0.945 . . . . 0.46 108.566 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ALA . . . -61.65 -44.17 97.47 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.12 -1.067 . . . . 0.54 108.12 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.13 -38.59 63.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.495 -0.928 . . . . 0.84 108.495 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' CGU . 48.4 t80 -70.97 -46.34 62.53 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.394 -0.817 . . . . 1.02 109.717 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.331 -2.106 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 108.549 -0.908 . . . . 0.51 108.549 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.231 -0.655 . . . . 0.32 109.231 179.552 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.9 mttp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.013 -0.736 . . . . 0.38 109.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.431 -0.793 . . . . 0.32 109.953 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.147 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 107.698 -1.223 . . . . 0.49 107.698 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.766 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -58.69 -30.15 67.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.503 -0.748 . . . . 0.24 109.123 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.3 mtm180 . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.22 -0.925 . . . . 0.4 110.401 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.147 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.771 0.32 . . . . 0.4 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.752 -1.218 . . . . 0.38 110.091 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 108.223 -1.028 . . . . 0.51 108.223 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 0.32 109.074 179.467 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mttp . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.302 0.572 . . . . 0.38 109.605 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.32 110.207 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.143 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 107.565 -1.272 . . . . 0.49 107.565 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.299 -1.0 . . . . 0.24 108.299 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.429 -0.794 . . . . 0.4 109.923 179.595 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.143 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.3 mp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.648 0.261 . . . . 0.4 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.495 1.782 0 O-C-N 120.723 -1.235 . . . . 0.38 108.448 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.893 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 109.596 -0.52 . . . . 0.51 109.596 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.893 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.84 -0.8 . . . . 0.32 108.84 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.961 0.41 . . . . 0.38 110.718 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.114 -0.991 . . . . 0.32 109.526 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.148 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 108.009 -1.108 . . . . 0.49 108.009 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.496 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -61.08 -26.9 67.97 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.67 -0.644 . . . . 0.24 109.584 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.4 110.08 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.148 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.168 -0.308 . . . . 0.4 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.873 -1.142 . . . . 0.38 108.822 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.902 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.091 -0.707 . . . . 0.51 109.091 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.902 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 108.678 -0.86 . . . . 0.32 108.678 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 108.997 -0.742 . . . . 0.38 108.997 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.847 -0.533 . . . . 0.32 110.383 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.098 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 107.576 -1.268 . . . . 0.49 107.576 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.603 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.84 -23.9 63.76 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.787 -1.19 . . . . 0.24 107.787 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.603 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.877 -0.786 . . . . 0.4 108.877 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.098 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.8 mp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.81 0.338 . . . . 0.4 110.204 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.772 0 O-C-N 120.865 -1.147 . . . . 0.38 108.379 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 108.45 -0.944 . . . . 0.51 108.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.609 -0.682 . . . . 0.32 109.408 179.286 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mttp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 108.938 -0.764 . . . . 0.38 108.938 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.601 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.612 -0.68 . . . . 0.32 110.686 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.678 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 N-CA-C 107.758 -1.201 . . . . 0.49 107.758 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -55.57 -41.87 73.92 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.379 -0.825 . . . . 0.24 109.041 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 72.9 mtm-85 . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.227 -0.921 . . . . 0.4 110.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.678 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.579 -0.897 . . . . 0.4 108.579 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 107.9 -1.148 . . . . 0.38 107.9 178.071 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 108.702 -0.851 . . . . 0.51 108.702 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 109.222 -0.658 . . . . 0.32 109.222 179.511 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.043 -0.725 . . . . 0.38 109.043 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.553 -0.717 . . . . 0.32 109.799 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.146 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 108.435 -0.95 . . . . 0.49 108.435 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -59.33 -43.79 92.67 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.722 -0.844 . . . . 0.24 108.722 178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.279 -0.888 . . . . 0.4 110.409 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.146 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.289 0.09 . . . . 0.4 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.496 1.856 0 O-C-N 120.535 -1.353 . . . . 0.38 108.494 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 108.499 -0.926 . . . . 0.51 108.499 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.277 -1.009 . . . . 0.32 108.277 178.629 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.728 -0.842 . . . . 0.38 108.728 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-N 116.19 -0.459 . . . . 0.32 110.533 -179.601 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 107.758 -1.201 . . . . 0.49 107.758 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.462 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.76 -39.43 74.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.289 -0.882 . . . . 0.24 108.992 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.207 -0.933 . . . . 0.4 109.339 179.794 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.672 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.03 -0.73 . . . . 0.4 109.03 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.653 -0.869 . . . . 0.38 108.653 178.585 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.436 -0.95 . . . . 0.51 108.436 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.916 -0.772 . . . . 0.32 108.916 179.068 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.829 -0.804 . . . . 0.38 108.829 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.854 -0.529 . . . . 0.32 110.114 179.65 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.139 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 108.107 -1.072 . . . . 0.49 108.107 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.61 -32.17 70.16 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.336 -0.853 . . . . 0.24 108.834 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.255 -0.903 . . . . 0.4 109.493 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.139 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.541 0.21 . . . . 0.4 110.821 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.937 0 O-C-N 120.854 -1.154 . . . . 0.38 108.386 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 108.497 -0.927 . . . . 0.51 108.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.544 -0.723 . . . . 0.32 109.357 179.425 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.066 -0.716 . . . . 0.38 109.066 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.59 -0.694 . . . . 0.32 110.453 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.166 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.048 . . . . 0.49 108.169 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -58.92 -43.46 91.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.549 -0.719 . . . . 0.24 109.18 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 . . . . . 0 N--CA 1.495 1.811 0 O-C-N 120.998 -1.064 . . . . 0.4 110.458 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.166 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 111.447 0.166 . . . . 0.4 111.447 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.38 109.176 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 107.96 -1.126 . . . . 0.51 107.96 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.153 -0.684 . . . . 0.32 109.153 179.169 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.727 -0.842 . . . . 0.38 108.727 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.646 -0.659 . . . . 0.32 110.18 179.689 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.126 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 108.443 -0.947 . . . . 0.49 108.443 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.552 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.37 -42.55 91.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.671 -0.863 . . . . 0.24 108.671 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.328 -0.858 . . . . 0.4 110.096 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.126 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 111.493 0.183 . . . . 0.4 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.499 2.018 0 O-C-N 120.412 -1.43 . . . . 0.38 108.623 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.883 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 109.655 -0.498 . . . . 0.51 109.655 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.883 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.752 . . . . 0.32 109.207 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.134 -0.691 . . . . 0.38 109.134 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.65 -0.656 . . . . 0.32 110.1 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.684 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.166 -1.05 . . . . 0.49 108.166 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -57.16 -40.3 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.24 109.324 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.39 -0.819 . . . . 0.4 109.58 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.684 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.439 -0.578 . . . . 0.4 109.439 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.121 -1.066 . . . . 0.38 108.121 178.671 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 108.498 -0.927 . . . . 0.51 108.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 108.988 -0.745 . . . . 0.32 108.988 179.194 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.531 -0.915 . . . . 0.38 108.531 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.699 -0.626 . . . . 0.32 110.058 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 107.702 -1.221 . . . . 0.49 107.702 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -53.56 -37.84 63.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.228 -0.92 . . . . 0.24 109.21 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 36.4 mtm180 . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.4 110.129 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.094 0.473 . . . . 0.4 110.075 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.967 0 O-C-N 121.152 -0.968 . . . . 0.38 111.366 -178.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 108.887 -0.783 . . . . 0.51 108.887 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.617 -0.677 . . . . 0.32 109.346 179.721 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.524 -0.917 . . . . 0.38 108.524 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.74 -0.6 . . . . 0.32 109.982 179.677 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 108.042 -1.096 . . . . 0.49 108.042 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.17 -37.97 65.05 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.383 -0.823 . . . . 0.24 109.548 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 O-C-N 121.071 -1.018 . . . . 0.4 110.277 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.357 -0.609 . . . . 0.4 109.357 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.048 . . . . 0.38 109.025 179.364 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 108.099 -1.074 . . . . 0.51 108.099 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.141 -0.689 . . . . 0.32 109.141 179.206 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.304 0.573 . . . . 0.38 109.719 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.572 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.32 110.452 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.135 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 107.264 -1.384 . . . . 0.49 107.264 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.06 -44.5 91.83 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.26 -1.015 . . . . 0.24 108.26 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 9' ' ' ALA . 10.6 mtm-85 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.4 109.841 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.135 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.3 mp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.603 0.24 . . . . 0.4 110.506 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.754 0 O-C-N 120.756 -1.215 . . . . 0.38 108.257 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 6' ' ' ALA . 3.4 pp . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 108.789 -0.819 . . . . 0.51 108.789 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.796 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 108.753 -0.832 . . . . 0.32 108.753 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.561 -0.903 . . . . 0.38 108.561 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.764 -0.585 . . . . 0.32 109.716 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 107.756 -1.201 . . . . 0.49 107.756 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -55.45 -38.49 69.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.289 -0.882 . . . . 0.24 109.215 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 33.1 mtm180 . . . . . 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.4 109.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.671 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 108.664 -0.865 . . . . 0.4 108.664 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.3 -1.0 . . . . 0.38 108.3 178.441 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 108.9 -0.778 . . . . 0.51 108.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.299 -0.876 . . . . 0.32 109.082 179.304 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.103 0.478 . . . . 0.38 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.32 109.674 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.155 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 107.769 -1.197 . . . . 0.49 107.769 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.549 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -58.58 -30.77 67.43 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.262 -0.644 . . . . 0.24 109.262 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.6 mtm180 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 120.936 -1.102 . . . . 0.4 110.188 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.155 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.592 0.234 . . . . 0.4 110.37 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.493 1.722 0 O-C-N 120.798 -1.189 . . . . 0.38 108.254 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.936 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.2 pp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.969 0.414 . . . . 0.51 110.203 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.936 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.252 -0.905 . . . . 0.32 108.918 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.469 0.652 . . . . 0.38 109.852 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.32 109.455 179.744 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.163 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 107.261 -1.385 . . . . 0.49 107.261 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.861 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.95 -19.68 53.33 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.885 -0.783 . . . . 0.24 108.885 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.4 108.861 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.163 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.675 0.274 . . . . 0.4 110.391 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.861 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.496 1.829 0 O-C-N 120.811 -1.181 . . . . 0.38 108.562 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.882 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.1 pp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.611 -0.514 . . . . 0.51 109.611 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.882 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.649 -0.657 . . . . 0.32 109.256 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.076 -0.713 . . . . 0.38 109.076 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.622 -0.674 . . . . 0.32 110.592 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.148 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 108.182 -1.044 . . . . 0.49 108.182 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -56.23 -32.3 64.32 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.375 -0.828 . . . . 0.24 109.774 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.077 . . . . 0.4 109.983 -179.791 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.148 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.991 -0.374 . . . . 0.4 109.991 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.38 108.09 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.772 -0.455 . . . . 0.51 109.772 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.32 109.653 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.555 0.693 . . . . 0.38 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.642 -0.661 . . . . 0.32 110.31 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.664 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 107.979 -1.119 . . . . 0.49 107.979 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.49 -37.05 64.83 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.397 -0.814 . . . . 0.24 109.334 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 . . . . . 0 N--CA 1.495 1.783 0 O-C-N 121.087 -1.008 . . . . 0.4 109.38 179.656 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.664 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.331 -0.618 . . . . 0.4 109.331 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.162 -0.961 . . . . 0.38 108.53 178.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 108.902 -0.777 . . . . 0.51 108.902 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 N-CA-C 109.242 -0.651 . . . . 0.32 109.242 179.51 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.38 108.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.619 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.677 -0.639 . . . . 0.32 110.357 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.68 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 107.428 -1.323 . . . . 0.49 107.428 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.52 -41.89 77.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.476 -0.89 . . . . 0.24 108.849 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.619 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 73.8 mtm-85 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 121.185 -0.947 . . . . 0.4 109.942 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.68 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 108.566 -0.901 . . . . 0.4 108.566 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.12 -1.067 . . . . 0.38 108.12 178.195 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.495 2.583 0 N-CA-C 109.342 -1.503 . . . . 0.66 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' CGU . 37.7 tt0 -52.03 -53.98 35.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.296 -1.12 . . . . 0.78 110.411 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.412 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp -80.66 -43.17 20.83 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.549 -0.908 . . . . 0.51 108.549 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.98 -50.83 63.35 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.231 -0.655 . . . . 0.32 109.231 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 4' ' ' CGU . 34.9 mttp -60.15 -48.04 83.4 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.013 -0.736 . . . . 0.38 109.013 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -59.58 -38.31 80.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.431 -0.793 . . . . 0.32 109.953 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.468 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.147 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.27 -36.58 84.14 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.698 -1.223 . . . . 0.49 107.698 178.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.766 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -58.69 -30.15 67.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.503 -0.748 . . . . 0.24 109.123 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.3 mtm180 -78.74 -63.61 1.37 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.22 -0.925 . . . . 0.4 110.401 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.468 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.147 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp -85.3 -13.86 48.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.773 -1.205 . . . . 0.4 110.877 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -72.16 -37.04 69.44 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.752 -1.218 . . . . 0.38 110.091 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.518 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.17 -7.42 29.91 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.922 -1.111 . . . . 0.64 110.547 -179.126 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -77.73 36.75 0.22 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.961 -1.087 . . . . 0.75 109.658 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.528 0 O-C-N 119.575 -1.953 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.496 2.637 0 N-CA-C 109.35 -1.5 . . . . 0.66 109.35 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 3' ' ' CGU . 13.9 tp10 -58.49 -52.09 67.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.293 -1.122 . . . . 0.78 110.125 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.409 ' HB3' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' GLU . 5.8 mp -83.78 -47.32 11.27 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.223 -1.028 . . . . 0.51 108.223 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -47.97 44.37 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 0.32 109.074 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -63.84 -42.03 97.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.52 -0.738 . . . . 0.38 109.605 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.59 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.32 110.207 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.143 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.59 -41.69 73.75 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.565 -1.272 . . . . 0.49 107.565 178.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.299 -1.0 . . . . 0.24 108.299 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -62.96 -46.17 89.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.429 -0.794 . . . . 0.4 109.923 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.416 ' O ' ' CG ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.143 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.3 mp -72.78 -37.28 67.65 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.736 -1.227 . . . . 0.4 110.389 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -71.69 -26.7 62.62 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.723 -1.235 . . . . 0.38 108.448 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -83.4 -36.35 24.35 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.063 -0.717 . . . . 0.64 109.063 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.416 ' CG ' ' O ' ' A' ' 14' ' ' CGU . 15.2 m-30 -70.13 -47.88 59.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.183 -0.948 . . . . 0.75 109.739 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.321 -2.112 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' N ' OE21 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.428 0 N-CA-C 109.188 -1.565 . . . . 0.66 109.188 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -79.46 -37.38 37.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.54 -0.977 . . . . 0.78 109.681 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.445 OE21 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.893 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -55.99 -47.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.296 -0.877 . . . . 0.51 109.596 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.893 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -49.34 -44.4 44.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.84 -0.8 . . . . 0.32 108.84 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.464 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -59.31 -42.28 91.02 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.38 110.718 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.08 -42.23 69.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.114 -0.991 . . . . 0.32 109.526 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.463 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.148 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.59 -34.81 79.14 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.009 -1.108 . . . . 0.49 108.009 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -61.08 -26.9 67.97 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.67 -0.644 . . . . 0.24 109.584 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -83.08 -64.01 1.25 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.4 110.08 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.463 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.148 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp -74.85 -26.55 59.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.715 -1.241 . . . . 0.4 110.168 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -78.84 -42.23 28.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.873 -1.142 . . . . 0.38 108.822 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.532 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -78.72 -13.24 59.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.64 109.068 179.521 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' CGU . 59.4 t80 -70.91 -46.87 61.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.541 -0.724 . . . . 0.75 109.986 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.349 -2.094 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.501 ' N ' OE22 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.493 2.442 0 N-CA-C 110.402 -1.079 . . . . 0.66 110.402 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 40.9 tt0 -52.25 -56.8 12.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.526 -0.985 . . . . 0.78 111.255 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.497 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.582 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.902 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -59.69 -46.54 88.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.302 -0.874 . . . . 0.51 109.091 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.902 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -53.7 -51.43 63.3 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.678 -0.86 . . . . 0.32 108.678 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.497 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -48.81 73.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.997 -0.742 . . . . 0.38 108.997 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.33 78.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.847 -0.533 . . . . 0.32 110.383 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.098 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.43 -39.69 95.17 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.576 -1.268 . . . . 0.49 107.576 178.594 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.603 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.84 -23.9 63.76 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.787 -1.19 . . . . 0.24 107.787 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.603 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -84.0 -63.31 1.37 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.877 -0.786 . . . . 0.4 108.877 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.098 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.8 mp -79.9 -21.91 43.39 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.984 -1.072 . . . . 0.4 110.204 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -76.89 -34.56 57.75 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.865 -1.147 . . . . 0.38 108.379 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.574 ' OD1' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -92.76 3.74 55.07 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.33 -0.856 . . . . 0.64 109.228 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -48.9 29.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.289 -0.882 . . . . 0.75 110.296 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.307 -2.12 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.498 2.788 0 N-CA-C 109.418 -1.473 . . . . 0.66 109.418 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -44.3 -57.72 3.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.832 -0.805 . . . . 0.78 110.382 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.508 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.492 OE12 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -54.77 -49.04 71.85 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.45 -0.944 . . . . 0.51 108.45 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -50.79 68.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.609 -0.682 . . . . 0.32 109.408 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' NZ ' OE12 ' A' ' 4' ' ' CGU . 36.8 mttp -57.88 -44.74 86.87 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.938 -0.764 . . . . 0.38 108.938 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.601 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . -57.04 -43.91 82.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.612 -0.68 . . . . 0.32 110.686 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.404 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.678 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.81 -38.73 79.25 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.758 -1.201 . . . . 0.49 107.758 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -55.57 -41.87 73.92 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.379 -0.825 . . . . 0.24 109.041 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 72.9 mtm-85 -62.0 -64.39 0.95 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.227 -0.921 . . . . 0.4 110.024 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.44 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.678 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -67.53 -47.42 69.95 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.225 -0.922 . . . . 0.4 108.579 179.341 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.4 86.49 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.9 -1.148 . . . . 0.38 107.9 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -70.73 -38.75 73.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.207 -1.034 . . . . 0.64 108.207 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 14' ' ' CGU . 20.8 m-30 -75.38 -50.49 15.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.388 -0.82 . . . . 0.75 109.456 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.307 -1.246 0 O-C-N 119.228 -2.17 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.466 0 N-CA-C 109.078 -1.609 . . . . 0.66 109.078 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -79.94 -43.09 22.76 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.355 -1.085 . . . . 0.78 109.651 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.442 ' N ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.433 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.73 -46.01 17.85 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.702 -0.851 . . . . 0.51 108.702 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.1 -49.67 50.87 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.222 -0.658 . . . . 0.32 109.222 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' NZ ' ' O ' ' A' ' 4' ' ' CGU . 33.0 mttp -59.59 -45.13 92.82 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.043 -0.725 . . . . 0.38 109.043 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.78 82.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.553 -0.717 . . . . 0.32 109.799 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.444 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.146 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.13 -34.55 72.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.673 -1.267 . . . . 0.49 108.435 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -59.33 -43.79 92.67 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.722 -0.844 . . . . 0.24 108.722 178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 -60.96 -63.33 1.34 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.279 -0.888 . . . . 0.4 110.409 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.444 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.146 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp -75.37 -41.03 57.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.545 -1.347 . . . . 0.4 110.811 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -63.97 -30.28 71.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.535 -1.353 . . . . 0.38 108.494 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.498 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -91.12 -29.32 17.35 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.358 -0.839 . . . . 0.64 109.042 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 14' ' ' CGU . 64.0 t80 -64.55 -46.49 82.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.301 -0.874 . . . . 0.75 109.307 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.824 -1.797 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.519 ' N ' OE12 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 110.412 -1.075 . . . . 0.66 110.412 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.82 -57.82 8.21 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.537 -0.978 . . . . 0.78 111.495 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.424 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.582 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -48.3 78.45 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.499 -0.926 . . . . 0.51 108.499 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.6 65.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.277 -1.009 . . . . 0.32 108.277 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.424 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -47.74 68.95 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.728 -0.842 . . . . 0.38 108.728 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.51 -52.26 64.28 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 116.19 -0.459 . . . . 0.32 110.533 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.427 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.07 -42.61 98.81 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.758 -1.201 . . . . 0.49 107.758 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.462 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.76 -39.43 74.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.289 -0.882 . . . . 0.24 108.992 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.58 -63.95 1.1 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.207 -0.933 . . . . 0.4 109.339 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.672 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -66.82 -43.8 82.82 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.261 -0.899 . . . . 0.4 109.03 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.65 72.85 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.653 -0.869 . . . . 0.38 108.653 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -84.55 -36.94 21.8 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.404 -0.919 . . . . 0.64 108.525 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' CGU . 25.1 t80 -67.45 -42.44 83.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 0.75 109.378 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.515 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.303 -2.123 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' N ' OE21 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.494 2.523 0 N-CA-C 109.75 -1.34 . . . . 0.66 109.75 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -47.82 -57.03 6.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.522 -0.987 . . . . 0.78 110.847 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.46 OE21 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.28 -45.94 92.41 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.436 -0.95 . . . . 0.51 108.436 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.74 53.36 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.916 -0.772 . . . . 0.32 108.916 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.425 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.6 82.25 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.829 -0.804 . . . . 0.38 108.829 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.05 75.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.854 -0.529 . . . . 0.32 110.114 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.445 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.139 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.46 -38.93 93.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.885 -1.134 . . . . 0.49 108.107 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.61 -32.17 70.16 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.336 -0.853 . . . . 0.24 108.834 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -71.97 -63.79 1.07 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.255 -0.903 . . . . 0.4 109.493 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.445 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.139 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp -83.11 -16.86 45.13 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.762 -1.211 . . . . 0.4 110.821 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -65.72 -48.03 73.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.854 -1.154 . . . . 0.38 108.386 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.11 -27.81 65.92 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.128 -1.064 . . . . 0.64 108.128 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 67.2 t80 -77.95 -53.31 7.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.808 -0.558 . . . . 0.75 109.668 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.357 -2.089 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.498 2.813 0 N-CA-C 108.51 -1.836 . . . . 0.66 108.51 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.742 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -39.33 -49.27 1.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 122.051 -0.676 . . . . 0.78 110.135 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.459 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.417 OE11 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.78 -46.94 11.66 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.497 -0.927 . . . . 0.51 108.497 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.65 -49.52 67.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.544 -0.723 . . . . 0.32 109.357 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.451 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' NZ ' OE11 ' A' ' 4' ' ' CGU . 40.3 mttp -58.24 -42.7 86.94 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.066 -0.716 . . . . 0.38 109.066 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -43.01 97.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.59 -0.694 . . . . 0.32 110.453 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.428 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.166 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.94 -35.79 71.61 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.001 -1.062 . . . . 0.49 108.169 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -58.92 -43.46 91.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.549 -0.719 . . . . 0.24 109.18 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -61.29 -62.99 1.44 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.998 -1.064 . . . . 0.4 110.458 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.428 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.166 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.1 mp -86.71 -37.55 17.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.859 -1.151 . . . . 0.4 111.447 -178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -74.38 -28.96 61.34 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.38 109.176 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -93.38 2.56 56.48 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.495 -0.928 . . . . 0.64 108.495 179.276 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.87 -44.32 85.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.75 109.89 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.432 0 O-C-N 119.406 -2.058 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' N ' OE21 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.813 -1.315 . . . . 0.66 109.813 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' CGU . 34.6 tt0 -64.75 -50.3 67.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.494 -1.003 . . . . 0.78 111.082 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.51 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.34 -46.1 74.44 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.96 -1.126 . . . . 0.51 107.96 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.93 66.98 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.153 -0.684 . . . . 0.32 109.153 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -55.31 -45.28 76.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.727 -0.842 . . . . 0.38 108.727 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.52 -50.08 68.7 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.646 -0.659 . . . . 0.32 110.18 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.425 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.126 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.45 -34.86 73.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.786 -1.197 . . . . 0.49 108.443 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.552 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.37 -42.55 91.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.671 -0.863 . . . . 0.24 108.671 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -60.75 -62.82 1.58 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.328 -0.858 . . . . 0.4 110.096 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.425 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.126 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp -84.14 -40.31 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.809 -1.182 . . . . 0.4 111.493 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -63.89 -27.46 69.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.412 -1.43 . . . . 0.38 108.623 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.87 -11.61 38.72 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.679 -0.859 . . . . 0.64 108.679 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -75.63 -54.87 6.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 0.75 109.735 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.421 -2.05 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' N ' OE22 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 109.27 -1.532 . . . . 0.66 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.769 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.3 pm0 -79.91 -18.64 50.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.623 -0.928 . . . . 0.78 110.029 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.424 OE22 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.883 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -52.68 -46.89 67.44 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.476 -0.765 . . . . 0.51 109.655 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.883 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -53.64 -50.5 65.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.752 . . . . 0.32 109.207 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -57.03 -44.81 83.25 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.134 -0.691 . . . . 0.38 109.134 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.51 80.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.65 -0.656 . . . . 0.32 110.1 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.456 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.684 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.54 -42.83 93.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.808 -1.183 . . . . 0.49 108.166 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -57.16 -40.3 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.24 109.324 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.613 ' NH1' ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -61.05 -54.71 41.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.39 -0.819 . . . . 0.4 109.58 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.54 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.684 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -69.81 -50.49 42.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.871 . . . . 0.4 109.439 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.3 -27.6 69.15 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.121 -1.066 . . . . 0.38 108.121 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.613 ' OD1' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -85.55 -34.2 21.56 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.08 -1.081 . . . . 0.64 108.08 178.702 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 14' ' ' CGU . 22.3 t80 -75.96 -51.55 12.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.749 -0.595 . . . . 0.75 109.413 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.375 -2.078 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.502 3.033 0 N-CA-C 108.71 -1.756 . . . . 0.66 108.71 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.752 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -38.07 -43.64 0.75 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 122.069 -0.666 . . . . 0.78 110.752 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.465 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.416 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -80.52 -45.03 18.14 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.498 -0.927 . . . . 0.51 108.498 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.07 -49.14 69.72 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.988 -0.745 . . . . 0.32 108.988 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -60.24 -47.29 86.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.531 -0.915 . . . . 0.38 108.531 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -55.4 -43.42 75.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.699 -0.626 . . . . 0.32 110.058 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.455 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.16 -41.39 96.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.729 -1.232 . . . . 0.49 107.702 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -53.56 -37.84 63.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.228 -0.92 . . . . 0.24 109.21 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 36.4 mtm180 -68.75 -63.8 0.99 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.4 110.129 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.731 ' HA ' HD22 ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -88.27 -45.89 9.68 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.621 -0.674 . . . . 0.4 110.075 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.08 82.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.152 -0.968 . . . . 0.38 111.366 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.731 HD22 ' HA ' ' A' ' 14' ' ' CGU . 18.8 p30 -61.66 -8.65 4.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.583 -1.323 . . . . 0.64 110.846 -179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -80.43 39.74 0.47 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.869 -1.144 . . . . 0.75 109.647 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.527 0 O-C-N 119.694 -1.879 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 N-CA-C 108.723 -1.751 . . . . 0.66 108.723 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' CGU . 40.0 tt0 -67.99 -56.47 8.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.377 -1.072 . . . . 0.78 110.619 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.505 OE12 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.62 -44.54 12.52 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.887 -0.783 . . . . 0.51 108.887 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.26 -50.1 68.0 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.617 -0.677 . . . . 0.32 109.346 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' NZ ' OE12 ' A' ' 4' ' ' CGU . 0.0 OUTLIER -60.37 -46.18 90.86 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.524 -0.917 . . . . 0.38 108.524 178.639 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.38 75.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.74 -0.6 . . . . 0.32 109.982 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.451 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.02 -39.79 91.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.49 108.042 179.593 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.17 -37.97 65.05 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.383 -0.823 . . . . 0.24 109.548 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' NH1' ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -70.0 -63.31 1.11 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.071 -1.018 . . . . 0.4 110.277 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.451 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -79.85 -55.12 5.21 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.678 -0.639 . . . . 0.4 109.357 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.34 64.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.048 . . . . 0.38 109.025 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.611 ' OD1' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -92.02 -2.84 56.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -0.819 . . . . 0.64 108.909 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -63.5 -41.71 98.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 0.75 110.257 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.521 0 O-C-N 119.521 -1.987 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 109.081 -1.608 . . . . 0.66 109.081 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.762 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -39.2 -49.81 1.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 122.154 -0.615 . . . . 0.78 110.76 178.342 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.491 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.522 OE12 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.12 -47.72 76.15 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.099 -1.074 . . . . 0.51 108.099 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.41 -50.27 65.54 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.141 -0.689 . . . . 0.32 109.141 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.522 ' NZ ' OE12 ' A' ' 4' ' ' CGU . 21.1 mmtp -57.16 -44.69 83.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.523 -0.736 . . . . 0.38 109.719 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.572 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . -64.55 -37.72 88.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.32 110.452 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.135 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.7 -41.34 70.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 107.264 -1.384 . . . . 0.49 107.264 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.06 -44.5 91.83 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.26 -1.015 . . . . 0.24 108.26 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 9' ' ' ALA . 10.6 mtm-85 -62.65 -52.23 64.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.4 109.841 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.439 ' O ' ' CD2' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.135 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.3 mp -76.29 -31.4 58.2 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.839 -1.163 . . . . 0.4 110.506 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -78.86 -28.85 44.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.756 -1.215 . . . . 0.38 108.257 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -69.62 -36.9 76.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.312 -0.867 . . . . 0.64 109.219 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 14' ' ' CGU . 10.7 m-85 -76.0 28.07 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.035 -1.041 . . . . 0.75 109.342 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.455 -2.028 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.475 -1.45 . . . . 0.66 109.475 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 35.0 tt0 -68.03 -56.5 8.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.371 -1.076 . . . . 0.78 110.583 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.476 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.473 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 6' ' ' ALA . 3.4 pp -65.96 -42.36 90.06 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.015 -1.053 . . . . 0.51 108.789 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.796 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -54.29 -51.83 63.37 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.753 -0.832 . . . . 0.32 108.753 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -45.9 90.47 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.561 -0.903 . . . . 0.38 108.561 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -58.88 -39.44 81.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.764 -0.585 . . . . 0.32 109.716 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.472 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.54 -40.21 90.69 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.756 -1.201 . . . . 0.49 107.756 179.111 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -55.45 -38.49 69.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.289 -0.882 . . . . 0.24 109.215 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 33.1 mtm180 -67.31 -64.05 0.93 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.4 109.84 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.481 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.671 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.5 -46.24 64.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.251 -0.906 . . . . 0.4 108.664 179.185 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.7 -40.09 75.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.3 -1.0 . . . . 0.38 108.3 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -79.89 -36.2 36.88 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.134 -1.061 . . . . 0.64 108.134 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 14' ' ' CGU . 63.0 t80 -66.22 -46.26 77.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 0.75 109.072 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.472 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 119.63 -1.919 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' N ' OE22 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 109.662 -1.375 . . . . 0.66 109.662 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' CGU . 5.3 tm-20 -51.52 -48.21 63.04 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.673 -0.898 . . . . 0.78 110.633 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.482 OE22 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.16 -50.79 20.67 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.9 -0.778 . . . . 0.51 108.9 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB2' ' OE2' ' A' ' 2' ' ' GLU . . . -47.48 -47.5 27.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.299 -0.876 . . . . 0.32 109.082 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.411 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.28 -43.15 82.84 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.401 -0.812 . . . . 0.38 110.51 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -70.31 -35.19 73.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.32 109.674 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.476 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.155 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.57 -38.82 92.58 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 107.769 -1.197 . . . . 0.49 107.769 178.575 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.549 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -58.58 -30.77 67.43 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.262 -0.644 . . . . 0.24 109.262 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.6 mtm180 -77.02 -63.42 1.37 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.936 -1.102 . . . . 0.4 110.188 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.476 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.155 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp -74.62 -30.02 61.49 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.816 -1.178 . . . . 0.4 110.37 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -82.23 -33.54 29.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.798 -1.189 . . . . 0.38 108.254 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' NH2 . 21.7 t30 -66.74 -38.16 86.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.142 -0.974 . . . . 0.64 108.969 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -67.65 52.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.061 -1.025 . . . . 0.75 109.327 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.548 -1.97 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.408 0 N-CA-C 109.506 -1.437 . . . . 0.66 109.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.637 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.56 -36.24 80.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.74 -0.859 . . . . 0.78 110.796 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.461 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.936 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.2 pp -55.84 -46.45 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.187 -0.946 . . . . 0.51 110.203 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.936 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -49.89 -50.69 45.04 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.252 -0.905 . . . . 0.32 108.918 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.423 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -56.71 -48.7 77.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.38 109.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.34 97.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.32 109.455 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.451 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.163 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.59 -40.36 96.74 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.261 -1.385 . . . . 0.49 107.261 177.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.861 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.95 -19.68 53.33 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.885 -0.783 . . . . 0.24 108.885 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -63.82 1.26 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.4 108.861 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.451 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.163 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp -85.94 -15.28 42.11 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.964 -1.085 . . . . 0.4 110.391 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.861 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -65.63 -47.86 74.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.811 -1.181 . . . . 0.38 108.562 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -69.17 -35.04 75.88 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.271 -1.011 . . . . 0.64 108.271 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 65.2 t80 -73.75 -49.49 25.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.781 -0.575 . . . . 0.75 109.822 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.514 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.235 -2.165 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 N-CA-C 109.229 -1.548 . . . . 0.66 109.229 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 3' ' ' CGU . 0.0 OUTLIER -77.16 -40.62 44.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.966 . . . . 0.78 109.547 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.487 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.537 OE11 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.882 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.1 pp -52.89 -46.83 68.16 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.298 -0.876 . . . . 0.51 109.611 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.882 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -55.22 -54.21 46.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.649 -0.657 . . . . 0.32 109.256 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.42 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.537 ' NZ ' OE11 ' A' ' 4' ' ' CGU . 45.3 mmtm -59.15 -46.31 88.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.076 -0.713 . . . . 0.38 109.076 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.3 86.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.622 -0.674 . . . . 0.32 110.592 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.426 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.148 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.77 -38.93 89.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.902 -1.124 . . . . 0.49 108.182 179.137 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -56.23 -32.3 64.32 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.375 -0.828 . . . . 0.24 109.774 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -76.83 -63.66 1.3 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.077 . . . . 0.4 109.983 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.426 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.148 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp -86.85 -14.38 42.23 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.942 -1.099 . . . . 0.4 109.991 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -61.54 -47.35 85.98 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.38 108.09 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.93 -33.31 71.99 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.447 -0.946 . . . . 0.64 108.447 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 64.5 t80 -73.2 -49.73 26.42 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.744 -0.597 . . . . 0.75 109.889 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.383 -2.073 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.889 0 N-CA-C 108.496 -1.842 . . . . 0.66 108.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.739 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -45.13 -50.52 11.17 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 122.299 -0.53 . . . . 0.78 111.016 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.514 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.453 OE11 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.18 -54.17 49.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.586 -0.696 . . . . 0.51 109.772 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -51.64 45.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.32 109.653 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.45 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' NZ ' OE11 ' A' ' 4' ' ' CGU . 77.7 mttt -57.24 -45.3 84.06 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.555 0.693 . . . . 0.38 109.243 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.47 91.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.642 -0.661 . . . . 0.32 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.433 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.664 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.65 -44.3 93.59 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.979 -1.119 . . . . 0.49 107.979 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.49 -37.05 64.83 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.397 -0.814 . . . . 0.24 109.334 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 20.0 ttm180 -65.45 -63.02 1.2 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.087 -1.008 . . . . 0.4 109.38 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.664 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -69.59 -46.93 65.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.433 -0.792 . . . . 0.4 109.331 179.475 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.47 71.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.162 -0.961 . . . . 0.38 108.53 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 13' ' ' ARG . 12.7 m-80 -78.8 -38.46 38.31 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.81 -0.756 . . . . 0.64 109.097 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' CGU . 65.3 t80 -68.4 -42.1 79.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.215 -0.928 . . . . 0.75 109.856 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.179 -2.2 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.585 0 N-CA-C 109.362 -1.495 . . . . 0.66 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.67 -56.08 25.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.417 -1.049 . . . . 0.78 110.52 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.506 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.38 -44.19 16.45 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.902 -0.777 . . . . 0.51 108.902 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.64 -49.67 64.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.242 -0.651 . . . . 0.32 109.242 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' NZ ' ' O ' ' A' ' 4' ' ' CGU . 30.0 mttp -60.34 -46.27 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.38 108.878 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . -54.78 -42.32 71.59 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.677 -0.639 . . . . 0.32 110.357 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CGU . . . . . 0.419 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.68 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.3 -37.9 78.88 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.428 -1.323 . . . . 0.49 107.428 179.291 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.52 -41.89 77.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.476 -0.89 . . . . 0.24 108.849 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.619 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 73.8 mtm-85 -61.47 -64.09 1.06 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.185 -0.947 . . . . 0.4 109.942 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CGU . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.68 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -68.62 -43.13 77.0 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.188 -0.945 . . . . 0.4 108.566 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.17 97.47 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.12 -1.067 . . . . 0.38 108.12 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.13 -38.59 63.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.495 -0.928 . . . . 0.64 108.495 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' CGU . 48.4 t80 -70.97 -46.34 62.53 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.394 -0.817 . . . . 0.75 109.717 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.331 -2.106 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 108.549 -0.908 . . . . 0.51000000000000001 108.549 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.231 -0.655 . . . . 0.32000000000000001 109.231 179.552 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.9 mttp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.013 -0.736 . . . . 0.38 109.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.431 -0.793 . . . . 0.32000000000000001 109.953 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.147 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 107.698 -1.223 . . . . 0.48999999999999999 107.698 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.766 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -58.69 -30.15 67.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.503 -0.748 . . . . 0.23999999999999999 109.123 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.3 mtm180 . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.22 -0.925 . . . . 0.40000000000000002 110.401 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.147 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.771 0.32 . . . . 0.40000000000000002 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.752 -1.218 . . . . 0.38 110.091 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 108.223 -1.028 . . . . 0.51000000000000001 108.223 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 0.32000000000000001 109.074 179.467 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mttp . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.302 0.572 . . . . 0.38 109.605 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.32000000000000001 110.207 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.143 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 107.565 -1.272 . . . . 0.48999999999999999 107.565 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.299 -1.0 . . . . 0.23999999999999999 108.299 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.429 -0.794 . . . . 0.40000000000000002 109.923 179.595 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.143 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.3 mp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.648 0.261 . . . . 0.40000000000000002 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.495 1.782 0 O-C-N 120.723 -1.235 . . . . 0.38 108.448 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.893 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 109.596 -0.52 . . . . 0.51000000000000001 109.596 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.893 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.84 -0.8 . . . . 0.32000000000000001 108.84 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.961 0.41 . . . . 0.38 110.718 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.114 -0.991 . . . . 0.32000000000000001 109.526 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.148 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 108.009 -1.108 . . . . 0.48999999999999999 108.009 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.496 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -61.08 -26.9 67.97 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.67 -0.644 . . . . 0.23999999999999999 109.584 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.40000000000000002 110.08 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.148 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.168 -0.308 . . . . 0.40000000000000002 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.873 -1.142 . . . . 0.38 108.822 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.902 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.091 -0.707 . . . . 0.51000000000000001 109.091 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.902 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 108.678 -0.86 . . . . 0.32000000000000001 108.678 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 108.997 -0.742 . . . . 0.38 108.997 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.847 -0.533 . . . . 0.32000000000000001 110.383 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.098 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 107.576 -1.268 . . . . 0.48999999999999999 107.576 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.603 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.84 -23.9 63.76 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.787 -1.19 . . . . 0.23999999999999999 107.787 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.603 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.877 -0.786 . . . . 0.40000000000000002 108.877 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.098 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.8 mp . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.81 0.338 . . . . 0.40000000000000002 110.204 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.772 0 O-C-N 120.865 -1.147 . . . . 0.38 108.379 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 108.45 -0.944 . . . . 0.51000000000000001 108.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.609 -0.682 . . . . 0.32000000000000001 109.408 179.286 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mttp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 108.938 -0.764 . . . . 0.38 108.938 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.601 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.612 -0.68 . . . . 0.32000000000000001 110.686 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.678 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 N-CA-C 107.758 -1.201 . . . . 0.48999999999999999 107.758 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -55.57 -41.87 73.92 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.379 -0.825 . . . . 0.23999999999999999 109.041 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 72.9 mtm-85 . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.227 -0.921 . . . . 0.40000000000000002 110.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.678 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 108.579 -0.897 . . . . 0.40000000000000002 108.579 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 107.9 -1.148 . . . . 0.38 107.9 178.071 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 108.702 -0.851 . . . . 0.51000000000000001 108.702 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 109.222 -0.658 . . . . 0.32000000000000001 109.222 179.511 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.043 -0.725 . . . . 0.38 109.043 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.553 -0.717 . . . . 0.32000000000000001 109.799 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.146 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 108.435 -0.95 . . . . 0.48999999999999999 108.435 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -59.33 -43.79 92.67 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.722 -0.844 . . . . 0.23999999999999999 108.722 178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.279 -0.888 . . . . 0.40000000000000002 110.409 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.146 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.289 0.09 . . . . 0.40000000000000002 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.496 1.856 0 O-C-N 120.535 -1.353 . . . . 0.38 108.494 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 108.499 -0.926 . . . . 0.51000000000000001 108.499 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.277 -1.009 . . . . 0.32000000000000001 108.277 178.629 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.728 -0.842 . . . . 0.38 108.728 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-N 116.19 -0.459 . . . . 0.32000000000000001 110.533 -179.601 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 107.758 -1.201 . . . . 0.48999999999999999 107.758 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.462 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.76 -39.43 74.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.289 -0.882 . . . . 0.23999999999999999 108.992 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.207 -0.933 . . . . 0.40000000000000002 109.339 179.794 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.672 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.03 -0.73 . . . . 0.40000000000000002 109.03 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 108.653 -0.869 . . . . 0.38 108.653 178.585 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.436 -0.95 . . . . 0.51000000000000001 108.436 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.916 -0.772 . . . . 0.32000000000000001 108.916 179.068 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.829 -0.804 . . . . 0.38 108.829 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.854 -0.529 . . . . 0.32000000000000001 110.114 179.65 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.139 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 108.107 -1.072 . . . . 0.48999999999999999 108.107 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.61 -32.17 70.16 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.336 -0.853 . . . . 0.23999999999999999 108.834 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.255 -0.903 . . . . 0.40000000000000002 109.493 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.139 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.541 0.21 . . . . 0.40000000000000002 110.821 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.937 0 O-C-N 120.854 -1.154 . . . . 0.38 108.386 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 108.497 -0.927 . . . . 0.51000000000000001 108.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.544 -0.723 . . . . 0.32000000000000001 109.357 179.425 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.066 -0.716 . . . . 0.38 109.066 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.59 -0.694 . . . . 0.32000000000000001 110.453 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.166 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 108.169 -1.048 . . . . 0.48999999999999999 108.169 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -58.92 -43.46 91.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.549 -0.719 . . . . 0.23999999999999999 109.18 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 . . . . . 0 N--CA 1.495 1.811 0 O-C-N 120.998 -1.064 . . . . 0.40000000000000002 110.458 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.166 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 111.447 0.166 . . . . 0.40000000000000002 111.447 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.38 109.176 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 107.96 -1.126 . . . . 0.51000000000000001 107.96 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.153 -0.684 . . . . 0.32000000000000001 109.153 179.169 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.727 -0.842 . . . . 0.38 108.727 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.646 -0.659 . . . . 0.32000000000000001 110.18 179.689 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.126 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 108.443 -0.947 . . . . 0.48999999999999999 108.443 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.552 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.37 -42.55 91.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.671 -0.863 . . . . 0.23999999999999999 108.671 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.328 -0.858 . . . . 0.40000000000000002 110.096 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.126 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 111.493 0.183 . . . . 0.40000000000000002 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.499 2.018 0 O-C-N 120.412 -1.43 . . . . 0.38 108.623 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.883 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 109.655 -0.498 . . . . 0.51000000000000001 109.655 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.883 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.752 . . . . 0.32000000000000001 109.207 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.134 -0.691 . . . . 0.38 109.134 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.65 -0.656 . . . . 0.32000000000000001 110.1 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.684 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.166 -1.05 . . . . 0.48999999999999999 108.166 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -57.16 -40.3 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.23999999999999999 109.324 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.39 -0.819 . . . . 0.40000000000000002 109.58 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.684 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.439 -0.578 . . . . 0.40000000000000002 109.439 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.121 -1.066 . . . . 0.38 108.121 178.671 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 108.498 -0.927 . . . . 0.51000000000000001 108.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 108.988 -0.745 . . . . 0.32000000000000001 108.988 179.194 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.531 -0.915 . . . . 0.38 108.531 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.699 -0.626 . . . . 0.32000000000000001 110.058 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 107.702 -1.221 . . . . 0.48999999999999999 107.702 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -53.56 -37.84 63.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.228 -0.92 . . . . 0.23999999999999999 109.21 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 36.4 mtm180 . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.40000000000000002 110.129 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.094 0.473 . . . . 0.40000000000000002 110.075 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.967 0 O-C-N 121.152 -0.968 . . . . 0.38 111.366 -178.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 108.887 -0.783 . . . . 0.51000000000000001 108.887 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.617 -0.677 . . . . 0.32000000000000001 109.346 179.721 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.524 -0.917 . . . . 0.38 108.524 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.74 -0.6 . . . . 0.32000000000000001 109.982 179.677 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 108.042 -1.096 . . . . 0.48999999999999999 108.042 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.17 -37.97 65.05 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.383 -0.823 . . . . 0.23999999999999999 109.548 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 O-C-N 121.071 -1.018 . . . . 0.40000000000000002 110.277 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.357 -0.609 . . . . 0.40000000000000002 109.357 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.048 . . . . 0.38 109.025 179.364 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 108.099 -1.074 . . . . 0.51000000000000001 108.099 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.141 -0.689 . . . . 0.32000000000000001 109.141 179.206 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.304 0.573 . . . . 0.38 109.719 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.572 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.32000000000000001 110.452 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.135 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 107.264 -1.384 . . . . 0.48999999999999999 107.264 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.06 -44.5 91.83 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.26 -1.015 . . . . 0.23999999999999999 108.26 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 9' ' ' ALA . 10.6 mtm-85 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.40000000000000002 109.841 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.135 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.3 mp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.603 0.24 . . . . 0.40000000000000002 110.506 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.494 1.754 0 O-C-N 120.756 -1.215 . . . . 0.38 108.257 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 6' ' ' ALA . 3.4 pp . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 108.789 -0.819 . . . . 0.51000000000000001 108.789 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.796 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 108.753 -0.832 . . . . 0.32000000000000001 108.753 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.561 -0.903 . . . . 0.38 108.561 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.764 -0.585 . . . . 0.32000000000000001 109.716 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 107.756 -1.201 . . . . 0.48999999999999999 107.756 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -55.45 -38.49 69.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.289 -0.882 . . . . 0.23999999999999999 109.215 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 33.1 mtm180 . . . . . 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.40000000000000002 109.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.671 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 108.664 -0.865 . . . . 0.40000000000000002 108.664 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.3 -1.0 . . . . 0.38 108.3 178.441 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 108.9 -0.778 . . . . 0.51000000000000001 108.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.299 -0.876 . . . . 0.32000000000000001 109.082 179.304 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.103 0.478 . . . . 0.38 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.32000000000000001 109.674 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.155 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 107.769 -1.197 . . . . 0.48999999999999999 107.769 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.549 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -58.58 -30.77 67.43 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.262 -0.644 . . . . 0.23999999999999999 109.262 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.6 mtm180 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 120.936 -1.102 . . . . 0.40000000000000002 110.188 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.155 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.592 0.234 . . . . 0.40000000000000002 110.37 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.493 1.722 0 O-C-N 120.798 -1.189 . . . . 0.38 108.254 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.936 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.2 pp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.969 0.414 . . . . 0.51000000000000001 110.203 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.936 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.252 -0.905 . . . . 0.32000000000000001 108.918 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.469 0.652 . . . . 0.38 109.852 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.32000000000000001 109.455 179.744 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.163 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 107.261 -1.385 . . . . 0.48999999999999999 107.261 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.861 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.95 -19.68 53.33 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.885 -0.783 . . . . 0.23999999999999999 108.885 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.40000000000000002 108.861 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.163 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.675 0.274 . . . . 0.40000000000000002 110.391 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.861 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.496 1.829 0 O-C-N 120.811 -1.181 . . . . 0.38 108.562 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.882 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.1 pp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.611 -0.514 . . . . 0.51000000000000001 109.611 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.882 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.649 -0.657 . . . . 0.32000000000000001 109.256 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.076 -0.713 . . . . 0.38 109.076 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.622 -0.674 . . . . 0.32000000000000001 110.592 -179.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.148 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 108.182 -1.044 . . . . 0.48999999999999999 108.182 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -56.23 -32.3 64.32 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.375 -0.828 . . . . 0.23999999999999999 109.774 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.077 . . . . 0.40000000000000002 109.983 -179.791 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.148 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.991 -0.374 . . . . 0.40000000000000002 109.991 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.38 108.09 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.772 -0.455 . . . . 0.51000000000000001 109.772 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.32000000000000001 109.653 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.555 0.693 . . . . 0.38 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.642 -0.661 . . . . 0.32000000000000001 110.31 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.664 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 107.979 -1.119 . . . . 0.48999999999999999 107.979 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.49 -37.05 64.83 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.397 -0.814 . . . . 0.23999999999999999 109.334 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 . . . . . 0 N--CA 1.495 1.783 0 O-C-N 121.087 -1.008 . . . . 0.40000000000000002 109.38 179.656 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.664 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.331 -0.618 . . . . 0.40000000000000002 109.331 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.162 -0.961 . . . . 0.38 108.53 178.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 108.902 -0.777 . . . . 0.51000000000000001 108.902 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 N-CA-C 109.242 -0.651 . . . . 0.32000000000000001 109.242 179.51 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.38 108.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.619 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.677 -0.639 . . . . 0.32000000000000001 110.357 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.68 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 107.428 -1.323 . . . . 0.48999999999999999 107.428 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.52 -41.89 77.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.476 -0.89 . . . . 0.23999999999999999 108.849 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.619 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 73.8 mtm-85 . . . . . 0 N--CA 1.497 1.893 0 O-C-N 121.185 -0.947 . . . . 0.40000000000000002 109.942 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.68 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 108.566 -0.901 . . . . 0.40000000000000002 108.566 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 108.12 -1.067 . . . . 0.38 108.12 178.195 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.495 2.583 0 N-CA-C 109.342 -1.503 . . . . 0.66000000000000003 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' CGU . 37.7 tt0 -52.03 -53.98 35.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.296 -1.12 . . . . 0.78000000000000003 110.411 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.412 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp -80.66 -43.17 20.83 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.549 -0.908 . . . . 0.51000000000000001 108.549 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.98 -50.83 63.35 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.231 -0.655 . . . . 0.32000000000000001 109.231 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 4' ' ' CGU . 34.9 mttp -60.15 -48.04 83.4 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.013 -0.736 . . . . 0.38 109.013 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -59.58 -38.31 80.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.431 -0.793 . . . . 0.32000000000000001 109.953 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.468 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.147 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.27 -36.58 84.14 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.698 -1.223 . . . . 0.48999999999999999 107.698 178.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.766 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -58.69 -30.15 67.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.503 -0.748 . . . . 0.23999999999999999 109.123 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.3 mtm180 -78.74 -63.61 1.37 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.22 -0.925 . . . . 0.40000000000000002 110.401 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.468 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.147 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp -85.3 -13.86 48.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.773 -1.205 . . . . 0.40000000000000002 110.877 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -72.16 -37.04 69.44 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.752 -1.218 . . . . 0.38 110.091 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.518 ' ND2' ' C ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.17 -7.42 29.91 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.922 -1.111 . . . . 0.64000000000000001 110.547 -179.126 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -77.73 36.75 0.22 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.961 -1.087 . . . . 0.75 109.658 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.528 0 O-C-N 119.575 -1.953 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.496 2.637 0 N-CA-C 109.35 -1.5 . . . . 0.66000000000000003 109.35 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 3' ' ' CGU . 13.9 tp10 -58.49 -52.09 67.11 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.293 -1.122 . . . . 0.78000000000000003 110.125 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.409 ' HB3' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' GLU . 5.8 mp -83.78 -47.32 11.27 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.223 -1.028 . . . . 0.51000000000000001 108.223 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.05 -47.97 44.37 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 0.32000000000000001 109.074 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -63.84 -42.03 97.7 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.52 -0.738 . . . . 0.38 109.605 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.59 76.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.32000000000000001 110.207 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.143 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.59 -41.69 73.75 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.565 -1.272 . . . . 0.48999999999999999 107.565 178.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.62 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -60.42 -43.48 96.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.299 -1.0 . . . . 0.23999999999999999 108.299 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -62.96 -46.17 89.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.429 -0.794 . . . . 0.40000000000000002 109.923 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.416 ' O ' ' CG ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.143 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.3 mp -72.78 -37.28 67.65 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 120.736 -1.227 . . . . 0.40000000000000002 110.389 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -71.69 -26.7 62.62 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.723 -1.235 . . . . 0.38 108.448 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.601 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -83.4 -36.35 24.35 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.063 -0.717 . . . . 0.64000000000000001 109.063 179.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.416 ' CG ' ' O ' ' A' ' 14' ' ' CGU . 15.2 m-30 -70.13 -47.88 59.85 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.183 -0.948 . . . . 0.75 109.739 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.321 -2.112 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' N ' OE21 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.428 0 N-CA-C 109.188 -1.565 . . . . 0.66000000000000003 109.188 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -79.46 -37.38 37.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.54 -0.977 . . . . 0.78000000000000003 109.681 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.445 OE21 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.893 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -55.99 -47.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.296 -0.877 . . . . 0.51000000000000001 109.596 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.893 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -49.34 -44.4 44.57 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.84 -0.8 . . . . 0.32000000000000001 108.84 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.464 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -59.31 -42.28 91.02 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.38 110.718 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.08 -42.23 69.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.114 -0.991 . . . . 0.32000000000000001 109.526 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.463 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.148 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.59 -34.81 79.14 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.009 -1.108 . . . . 0.48999999999999999 108.009 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -61.08 -26.9 67.97 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.67 -0.644 . . . . 0.23999999999999999 109.584 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -83.08 -64.01 1.25 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.40000000000000002 110.08 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.463 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.148 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp -74.85 -26.55 59.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.715 -1.241 . . . . 0.40000000000000002 110.168 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -78.84 -42.23 28.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.873 -1.142 . . . . 0.38 108.822 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.532 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -78.72 -13.24 59.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.19 -0.944 . . . . 0.64000000000000001 109.068 179.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 14' ' ' CGU . 59.4 t80 -70.91 -46.87 61.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.541 -0.724 . . . . 0.75 109.986 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.349 -2.094 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.501 ' N ' OE22 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.493 2.442 0 N-CA-C 110.402 -1.079 . . . . 0.66000000000000003 110.402 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 40.9 tt0 -52.25 -56.8 12.38 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.526 -0.985 . . . . 0.78000000000000003 111.255 -178.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.497 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.582 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.902 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -59.69 -46.54 88.77 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.302 -0.874 . . . . 0.51000000000000001 109.091 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.902 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -53.7 -51.43 63.3 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.678 -0.86 . . . . 0.32000000000000001 108.678 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.497 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -48.81 73.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.997 -0.742 . . . . 0.38 108.997 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.33 78.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.847 -0.533 . . . . 0.32000000000000001 110.383 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.098 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.43 -39.69 95.17 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.576 -1.268 . . . . 0.48999999999999999 107.576 178.594 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.603 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.84 -23.9 63.76 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.787 -1.19 . . . . 0.23999999999999999 107.787 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.603 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -84.0 -63.31 1.37 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.877 -0.786 . . . . 0.40000000000000002 108.877 179.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.098 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.8 mp -79.9 -21.91 43.39 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.984 -1.072 . . . . 0.40000000000000002 110.204 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -76.89 -34.56 57.75 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.865 -1.147 . . . . 0.38 108.379 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.574 ' OD1' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -92.76 3.74 55.07 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.33 -0.856 . . . . 0.64000000000000001 109.228 178.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -48.9 29.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.289 -0.882 . . . . 0.75 110.296 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.307 -2.12 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.498 2.788 0 N-CA-C 109.418 -1.473 . . . . 0.66000000000000003 109.418 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.643 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -44.3 -57.72 3.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.832 -0.805 . . . . 0.78000000000000003 110.382 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.508 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.492 OE12 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -54.77 -49.04 71.85 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.45 -0.944 . . . . 0.51000000000000001 108.45 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.96 -50.79 68.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.609 -0.682 . . . . 0.32000000000000001 109.408 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' NZ ' OE12 ' A' ' 4' ' ' CGU . 36.8 mttp -57.88 -44.74 86.87 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.938 -0.764 . . . . 0.38 108.938 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.601 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . -57.04 -43.91 82.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.612 -0.68 . . . . 0.32000000000000001 110.686 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.404 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.678 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.81 -38.73 79.25 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.758 -1.201 . . . . 0.48999999999999999 107.758 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -55.57 -41.87 73.92 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.379 -0.825 . . . . 0.23999999999999999 109.041 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.601 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 72.9 mtm-85 -62.0 -64.39 0.95 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.227 -0.921 . . . . 0.40000000000000002 110.024 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.44 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.678 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -67.53 -47.42 69.95 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.225 -0.922 . . . . 0.40000000000000002 108.579 179.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.4 86.49 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.9 -1.148 . . . . 0.38 107.9 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.587 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -70.73 -38.75 73.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.207 -1.034 . . . . 0.64000000000000001 108.207 178.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 14' ' ' CGU . 20.8 m-30 -75.38 -50.49 15.74 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.388 -0.82 . . . . 0.75 109.456 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.307 -1.246 0 O-C-N 119.228 -2.17 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.466 0 N-CA-C 109.078 -1.609 . . . . 0.66000000000000003 109.078 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -79.94 -43.09 22.76 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.355 -1.085 . . . . 0.78000000000000003 109.651 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.442 ' N ' ' CD ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.433 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.73 -46.01 17.85 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.702 -0.851 . . . . 0.51000000000000001 108.702 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.1 -49.67 50.87 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.222 -0.658 . . . . 0.32000000000000001 109.222 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' NZ ' ' O ' ' A' ' 4' ' ' CGU . 33.0 mttp -59.59 -45.13 92.82 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.043 -0.725 . . . . 0.38 109.043 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.8 -44.78 82.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.553 -0.717 . . . . 0.32000000000000001 109.799 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.444 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.146 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.13 -34.55 72.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.673 -1.267 . . . . 0.48999999999999999 108.435 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -59.33 -43.79 92.67 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.722 -0.844 . . . . 0.23999999999999999 108.722 178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 -60.96 -63.33 1.34 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.279 -0.888 . . . . 0.40000000000000002 110.409 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.444 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.146 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp -75.37 -41.03 57.41 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.545 -1.347 . . . . 0.40000000000000002 110.811 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -63.97 -30.28 71.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.535 -1.353 . . . . 0.38 108.494 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.498 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -91.12 -29.32 17.35 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.358 -0.839 . . . . 0.64000000000000001 109.042 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 14' ' ' CGU . 64.0 t80 -64.55 -46.49 82.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.301 -0.874 . . . . 0.75 109.307 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.824 -1.797 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.519 ' N ' OE12 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 110.412 -1.075 . . . . 0.66000000000000003 110.412 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.82 -57.82 8.21 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.537 -0.978 . . . . 0.78000000000000003 111.495 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.424 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.582 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -48.3 78.45 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.499 -0.926 . . . . 0.51000000000000001 108.499 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.6 65.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.277 -1.009 . . . . 0.32000000000000001 108.277 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.424 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -47.74 68.95 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.728 -0.842 . . . . 0.38 108.728 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.51 -52.26 64.28 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 116.19 -0.459 . . . . 0.32000000000000001 110.533 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.427 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.07 -42.61 98.81 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.758 -1.201 . . . . 0.48999999999999999 107.758 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.462 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.76 -39.43 74.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.289 -0.882 . . . . 0.23999999999999999 108.992 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -61.58 -63.95 1.1 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.207 -0.933 . . . . 0.40000000000000002 109.339 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.672 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -66.82 -43.8 82.82 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.261 -0.899 . . . . 0.40000000000000002 109.03 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.65 72.85 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.653 -0.869 . . . . 0.38 108.653 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.599 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -84.55 -36.94 21.8 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.404 -0.919 . . . . 0.64000000000000001 108.525 178.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' CGU . 25.1 t80 -67.45 -42.44 83.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.333 -0.854 . . . . 0.75 109.378 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.515 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.303 -2.123 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' N ' OE21 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.494 2.523 0 N-CA-C 109.75 -1.34 . . . . 0.66000000000000003 109.75 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -47.82 -57.03 6.15 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.522 -0.987 . . . . 0.78000000000000003 110.847 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.46 OE21 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.28 -45.94 92.41 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.436 -0.95 . . . . 0.51000000000000001 108.436 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.74 53.36 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.916 -0.772 . . . . 0.32000000000000001 108.916 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.425 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.6 82.25 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.829 -0.804 . . . . 0.38 108.829 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.05 75.97 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.854 -0.529 . . . . 0.32000000000000001 110.114 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.445 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.139 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.46 -38.93 93.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.885 -1.134 . . . . 0.48999999999999999 108.107 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.735 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.61 -32.17 70.16 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.336 -0.853 . . . . 0.23999999999999999 108.834 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -71.97 -63.79 1.07 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.255 -0.903 . . . . 0.40000000000000002 109.493 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.445 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.139 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.0 mp -83.11 -16.86 45.13 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.762 -1.211 . . . . 0.40000000000000002 110.821 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -65.72 -48.03 73.33 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.854 -1.154 . . . . 0.38 108.386 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.11 -27.81 65.92 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.128 -1.064 . . . . 0.64000000000000001 108.128 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 67.2 t80 -77.95 -53.31 7.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.808 -0.558 . . . . 0.75 109.668 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.357 -2.089 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.498 2.813 0 N-CA-C 108.51 -1.836 . . . . 0.66000000000000003 108.51 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.742 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -39.33 -49.27 1.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 122.051 -0.676 . . . . 0.78000000000000003 110.135 177.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.459 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.417 OE11 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -83.78 -46.94 11.66 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.497 -0.927 . . . . 0.51000000000000001 108.497 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.65 -49.52 67.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.544 -0.723 . . . . 0.32000000000000001 109.357 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.451 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' NZ ' OE11 ' A' ' 4' ' ' CGU . 40.3 mttp -58.24 -42.7 86.94 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.066 -0.716 . . . . 0.38 109.066 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -43.01 97.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.59 -0.694 . . . . 0.32000000000000001 110.453 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.428 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.166 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.94 -35.79 71.61 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.001 -1.062 . . . . 0.48999999999999999 108.169 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -58.92 -43.46 91.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.549 -0.719 . . . . 0.23999999999999999 109.18 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -61.29 -62.99 1.44 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.998 -1.064 . . . . 0.40000000000000002 110.458 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.428 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.166 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.1 mp -86.71 -37.55 17.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.859 -1.151 . . . . 0.40000000000000002 111.447 -178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -74.38 -28.96 61.34 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.38 109.176 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -93.38 2.56 56.48 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.495 -0.928 . . . . 0.64000000000000001 108.495 179.276 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.87 -44.32 85.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.75 109.89 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.432 0 O-C-N 119.406 -2.058 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' N ' OE21 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.813 -1.315 . . . . 0.66000000000000003 109.813 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' CGU . 34.6 tt0 -64.75 -50.3 67.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.494 -1.003 . . . . 0.78000000000000003 111.082 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.51 ' N ' ' CD2' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.34 -46.1 74.44 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.96 -1.126 . . . . 0.51000000000000001 107.96 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.93 66.98 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.153 -0.684 . . . . 0.32000000000000001 109.153 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -55.31 -45.28 76.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.727 -0.842 . . . . 0.38 108.727 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.52 -50.08 68.7 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.646 -0.659 . . . . 0.32000000000000001 110.18 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.425 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.126 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.45 -34.86 73.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.786 -1.197 . . . . 0.48999999999999999 108.443 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.552 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.37 -42.55 91.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.671 -0.863 . . . . 0.23999999999999999 108.671 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -60.75 -62.82 1.58 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.328 -0.858 . . . . 0.40000000000000002 110.096 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.425 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.126 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.0 mp -84.14 -40.31 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.809 -1.182 . . . . 0.40000000000000002 111.493 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -63.89 -27.46 69.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.412 -1.43 . . . . 0.38 108.623 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -90.87 -11.61 38.72 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.679 -0.859 . . . . 0.64000000000000001 108.679 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -75.63 -54.87 6.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 0.75 109.735 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.421 -2.05 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' N ' OE22 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 109.27 -1.532 . . . . 0.66000000000000003 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.769 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.3 pm0 -79.91 -18.64 50.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.623 -0.928 . . . . 0.78000000000000003 110.029 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.424 OE22 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.883 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.0 pp -52.68 -46.89 67.44 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.476 -0.765 . . . . 0.51000000000000001 109.655 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.883 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -53.64 -50.5 65.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -0.752 . . . . 0.32000000000000001 109.207 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -57.03 -44.81 83.25 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.134 -0.691 . . . . 0.38 109.134 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.51 80.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.65 -0.656 . . . . 0.32000000000000001 110.1 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.456 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.684 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.54 -42.83 93.21 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.808 -1.183 . . . . 0.48999999999999999 108.166 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -57.16 -40.3 76.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.23999999999999999 109.324 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.613 ' NH1' ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -61.05 -54.71 41.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.39 -0.819 . . . . 0.40000000000000002 109.58 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.54 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.684 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -69.81 -50.49 42.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.307 -0.871 . . . . 0.40000000000000002 109.439 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.3 -27.6 69.15 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.121 -1.066 . . . . 0.38 108.121 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.613 ' OD1' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -85.55 -34.2 21.56 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.08 -1.081 . . . . 0.64000000000000001 108.08 178.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 14' ' ' CGU . 22.3 t80 -75.96 -51.55 12.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.749 -0.595 . . . . 0.75 109.413 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.375 -2.078 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.502 3.033 0 N-CA-C 108.71 -1.756 . . . . 0.66000000000000003 108.71 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.752 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -38.07 -43.64 0.75 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 122.069 -0.666 . . . . 0.78000000000000003 110.752 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.465 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.416 ' N ' ' O ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -80.52 -45.03 18.14 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.498 -0.927 . . . . 0.51000000000000001 108.498 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.07 -49.14 69.72 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.988 -0.745 . . . . 0.32000000000000001 108.988 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -60.24 -47.29 86.6 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.531 -0.915 . . . . 0.38 108.531 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -55.4 -43.42 75.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.699 -0.626 . . . . 0.32000000000000001 110.058 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.455 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.16 -41.39 96.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.729 -1.232 . . . . 0.48999999999999999 107.702 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -53.56 -37.84 63.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.228 -0.92 . . . . 0.23999999999999999 109.21 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 36.4 mtm180 -68.75 -63.8 0.99 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.242 -0.911 . . . . 0.40000000000000002 110.129 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.536 ' O ' ' ND2' ' A' ' 17' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -88.27 -45.89 9.68 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.621 -0.674 . . . . 0.40000000000000002 110.075 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.08 82.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.152 -0.968 . . . . 0.38 111.366 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.677 HD22 ' N ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -61.66 -8.65 4.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.583 -1.323 . . . . 0.64000000000000001 110.846 -179.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.677 ' N ' HD22 ' A' ' 17' ' ' ASN . 14.5 m-85 -80.43 39.74 0.47 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.869 -1.144 . . . . 0.75 109.647 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.527 0 O-C-N 119.694 -1.879 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 N-CA-C 108.723 -1.751 . . . . 0.66000000000000003 108.723 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' CGU . 40.0 tt0 -67.99 -56.47 8.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.377 -1.072 . . . . 0.78000000000000003 110.619 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.414 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.505 OE12 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.62 -44.54 12.52 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.887 -0.783 . . . . 0.51000000000000001 108.887 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.26 -50.1 68.0 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.617 -0.677 . . . . 0.32000000000000001 109.346 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' NZ ' OE12 ' A' ' 4' ' ' CGU . 0.0 OUTLIER -60.37 -46.18 90.86 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.524 -0.917 . . . . 0.38 108.524 178.639 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.38 75.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.74 -0.6 . . . . 0.32000000000000001 109.982 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.451 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.641 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.02 -39.79 91.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.695 -1.253 . . . . 0.48999999999999999 108.042 179.593 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.17 -37.97 65.05 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.383 -0.823 . . . . 0.23999999999999999 109.548 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' NH1' ' OD1' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -70.0 -63.31 1.11 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.071 -1.018 . . . . 0.40000000000000002 110.277 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.451 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -79.85 -55.12 5.21 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.678 -0.639 . . . . 0.40000000000000002 109.357 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.34 64.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.048 . . . . 0.38 109.025 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.611 ' OD1' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -92.02 -2.84 56.48 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -0.819 . . . . 0.64000000000000001 108.909 179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -63.5 -41.71 98.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.866 . . . . 0.75 110.257 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.521 0 O-C-N 119.521 -1.987 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 109.081 -1.608 . . . . 0.66000000000000003 109.081 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.762 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -39.2 -49.81 1.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 122.154 -0.615 . . . . 0.78000000000000003 110.76 178.342 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.491 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.522 OE12 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.12 -47.72 76.15 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.099 -1.074 . . . . 0.51000000000000001 108.099 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.41 -50.27 65.54 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.141 -0.689 . . . . 0.32000000000000001 109.141 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.522 ' NZ ' OE12 ' A' ' 4' ' ' CGU . 21.1 mmtp -57.16 -44.69 83.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.523 -0.736 . . . . 0.38 109.719 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.572 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . -64.55 -37.72 88.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.32000000000000001 110.452 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.135 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.7 -41.34 70.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 107.264 -1.384 . . . . 0.48999999999999999 107.264 178.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' N ' ' CD1' ' A' ' 11' ' ' PHE . . . -59.06 -44.5 91.83 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.26 -1.015 . . . . 0.23999999999999999 108.26 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' NH1' ' O ' ' A' ' 9' ' ' ALA . 10.6 mtm-85 -62.65 -52.23 64.15 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.943 . . . . 0.40000000000000002 109.841 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.439 ' O ' ' CD2' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.135 HD22 ' CE2' ' A' ' 11' ' ' PHE . 6.3 mp -76.29 -31.4 58.2 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 120.839 -1.163 . . . . 0.40000000000000002 110.506 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -78.86 -28.85 44.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.756 -1.215 . . . . 0.38 108.257 178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.595 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -69.62 -36.9 76.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.312 -0.867 . . . . 0.64000000000000001 109.219 179.349 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 14' ' ' CGU . 10.7 m-85 -76.0 28.07 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.035 -1.041 . . . . 0.75 109.342 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.455 -2.028 . . . . 0.47999999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.475 -1.45 . . . . 0.66000000000000003 109.475 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 35.0 tt0 -68.03 -56.5 8.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.371 -1.076 . . . . 0.78000000000000003 110.583 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.476 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.473 ' CD2' ' N ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 6' ' ' ALA . 3.4 pp -65.96 -42.36 90.06 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.015 -1.053 . . . . 0.51000000000000001 108.789 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.796 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -54.29 -51.83 63.37 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.753 -0.832 . . . . 0.32000000000000001 108.753 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -45.9 90.47 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.561 -0.903 . . . . 0.38 108.561 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -58.88 -39.44 81.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.764 -0.585 . . . . 0.32000000000000001 109.716 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.472 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.54 -40.21 90.69 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.756 -1.201 . . . . 0.48999999999999999 107.756 179.111 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 11' ' ' PHE . . . -55.45 -38.49 69.12 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.289 -0.882 . . . . 0.23999999999999999 109.215 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 33.1 mtm180 -67.31 -64.05 0.93 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.40000000000000002 109.84 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.481 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.671 ' HG ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.5 -46.24 64.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.251 -0.906 . . . . 0.40000000000000002 108.664 179.185 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.7 -40.09 75.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.3 -1.0 . . . . 0.38 108.3 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.594 HD22 ' C ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER -79.89 -36.2 36.88 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.134 -1.061 . . . . 0.64000000000000001 108.134 178.349 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 14' ' ' CGU . 63.0 t80 -66.22 -46.26 77.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.396 -0.815 . . . . 0.75 109.072 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.472 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 119.63 -1.919 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' N ' OE22 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 109.662 -1.375 . . . . 0.66000000000000003 109.662 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' CGU . 5.3 tm-20 -51.52 -48.21 63.04 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.673 -0.898 . . . . 0.78000000000000003 110.633 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.482 OE22 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.16 -50.79 20.67 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.9 -0.778 . . . . 0.51000000000000001 108.9 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB2' ' OE2' ' A' ' 2' ' ' GLU . . . -47.48 -47.5 27.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.299 -0.876 . . . . 0.32000000000000001 109.082 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.411 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.28 -43.15 82.84 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.401 -0.812 . . . . 0.38 110.51 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' O ' ' NE ' ' A' ' 13' ' ' ARG . . . -70.31 -35.19 73.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.182 -0.949 . . . . 0.32000000000000001 109.674 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.476 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.155 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.57 -38.82 92.58 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 107.769 -1.197 . . . . 0.48999999999999999 107.769 178.575 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.549 ' N ' ' CD2' ' A' ' 11' ' ' PHE . . . -58.58 -30.77 67.43 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.262 -0.644 . . . . 0.23999999999999999 109.262 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.544 ' NE ' ' O ' ' A' ' 9' ' ' ALA . 37.6 mtm180 -77.02 -63.42 1.37 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.936 -1.102 . . . . 0.40000000000000002 110.188 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.476 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.155 HD22 ' CE1' ' A' ' 11' ' ' PHE . 6.1 mp -74.62 -30.02 61.49 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.816 -1.178 . . . . 0.40000000000000002 110.37 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ALA . . . -82.23 -33.54 29.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.798 -1.189 . . . . 0.38 108.254 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' NH2 . 1.2 t-20 -66.74 -38.16 86.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.142 -0.974 . . . . 0.64000000000000001 108.969 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -67.65 52.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.061 -1.025 . . . . 0.75 109.327 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.548 -1.97 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.408 0 N-CA-C 109.506 -1.437 . . . . 0.66000000000000003 109.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.637 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.56 -36.24 80.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.74 -0.859 . . . . 0.78000000000000003 110.796 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.461 ' N ' ' OE2' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.936 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.2 pp -55.84 -46.45 78.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.187 -0.946 . . . . 0.51000000000000001 110.203 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.936 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -49.89 -50.69 45.04 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.252 -0.905 . . . . 0.32000000000000001 108.918 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.423 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -56.71 -48.7 77.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.38 109.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.34 97.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.32000000000000001 109.455 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.451 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.163 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.59 -40.36 96.74 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.261 -1.385 . . . . 0.48999999999999999 107.261 177.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.861 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -59.95 -19.68 53.33 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.885 -0.783 . . . . 0.23999999999999999 108.885 178.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -63.82 1.26 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 0.40000000000000002 108.861 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.451 OE11 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.163 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp -85.94 -15.28 42.11 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 120.964 -1.085 . . . . 0.40000000000000002 110.391 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.861 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -65.63 -47.86 74.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.811 -1.181 . . . . 0.38 108.562 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -69.17 -35.04 75.88 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.271 -1.011 . . . . 0.64000000000000001 108.271 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.484 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 65.2 t80 -73.75 -49.49 25.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.781 -0.575 . . . . 0.75 109.822 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.514 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.235 -2.165 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 N-CA-C 109.229 -1.548 . . . . 0.66000000000000003 109.229 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 3' ' ' CGU . 0.0 OUTLIER -77.16 -40.62 44.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.966 . . . . 0.78000000000000003 109.547 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.487 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.537 OE11 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.882 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.1 pp -52.89 -46.83 68.16 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.298 -0.876 . . . . 0.51000000000000001 109.611 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.882 ' N ' HD12 ' A' ' 5' ' ' LEU . . . -55.22 -54.21 46.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.649 -0.657 . . . . 0.32000000000000001 109.256 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.42 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.537 ' NZ ' OE11 ' A' ' 4' ' ' CGU . 45.3 mmtm -59.15 -46.31 88.69 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.076 -0.713 . . . . 0.38 109.076 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.3 86.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.622 -0.674 . . . . 0.32000000000000001 110.592 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.426 ' HG ' OE12 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.148 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.77 -38.93 89.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.902 -1.124 . . . . 0.48999999999999999 108.182 179.137 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -56.23 -32.3 64.32 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.375 -0.828 . . . . 0.23999999999999999 109.774 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -76.83 -63.66 1.3 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.976 -1.077 . . . . 0.40000000000000002 109.983 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.426 OE12 ' HG ' ' A' ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.148 HD22 ' CE2' ' A' ' 11' ' ' PHE . 5.7 mp -86.85 -14.38 42.23 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.942 -1.099 . . . . 0.40000000000000002 109.991 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 12' ' ' ALA . . . -61.54 -47.35 85.98 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.38 108.09 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.93 -33.31 71.99 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.447 -0.946 . . . . 0.64000000000000001 108.447 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 64.5 t80 -73.2 -49.73 26.42 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.744 -0.597 . . . . 0.75 109.889 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.383 -2.073 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.889 0 N-CA-C 108.496 -1.842 . . . . 0.66000000000000003 108.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.739 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -45.13 -50.52 11.17 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 122.299 -0.53 . . . . 0.78000000000000003 111.016 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.514 ' N ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.453 OE11 ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.18 -54.17 49.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.586 -0.696 . . . . 0.51000000000000001 109.772 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -51.64 45.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.32000000000000001 109.653 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.45 ' CD1' ' HG ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' NZ ' OE11 ' A' ' 4' ' ' CGU . 77.7 mttt -57.24 -45.3 84.06 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.555 0.693 . . . . 0.38 109.243 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.47 91.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.642 -0.661 . . . . 0.32000000000000001 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.433 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.664 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.65 -44.3 93.59 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 107.979 -1.119 . . . . 0.48999999999999999 107.979 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -54.49 -37.05 64.83 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.397 -0.814 . . . . 0.23999999999999999 109.334 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 20.0 ttm180 -65.45 -63.02 1.2 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.087 -1.008 . . . . 0.40000000000000002 109.38 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.664 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -69.59 -46.93 65.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.433 -0.792 . . . . 0.40000000000000002 109.331 179.475 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.22 -44.47 71.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.162 -0.961 . . . . 0.38 108.53 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 13' ' ' ARG . 12.7 m-80 -78.8 -38.46 38.31 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.81 -0.756 . . . . 0.64000000000000001 109.097 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' CGU . 65.3 t80 -68.4 -42.1 79.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.215 -0.928 . . . . 0.75 109.856 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.179 -2.2 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.585 0 N-CA-C 109.362 -1.495 . . . . 0.66000000000000003 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.67 -56.08 25.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.417 -1.049 . . . . 0.78000000000000003 110.52 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.506 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.38 -44.19 16.45 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.902 -0.777 . . . . 0.51000000000000001 108.902 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.64 -49.67 64.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.242 -0.651 . . . . 0.32000000000000001 109.242 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' NZ ' ' O ' ' A' ' 4' ' ' CGU . 30.0 mttp -60.34 -46.27 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.38 108.878 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . -54.78 -42.32 71.59 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.677 -0.639 . . . . 0.32000000000000001 110.357 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CGU . . . . . 0.419 ' HG ' OE11 ' A' ' 14' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.68 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.3 -37.9 78.88 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.428 -1.323 . . . . 0.48999999999999999 107.428 179.291 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' HD1' ' A' ' 11' ' ' PHE . . . -56.52 -41.89 77.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.476 -0.89 . . . . 0.23999999999999999 108.849 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.619 ' NH2' ' O ' ' A' ' 9' ' ' ALA . 73.8 mtm-85 -61.47 -64.09 1.06 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.185 -0.947 . . . . 0.40000000000000002 109.942 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CGU . . . . . 0.506 ' O ' ' N ' ' A' ' 18' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.68 ' HG ' ' CD2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -68.62 -43.13 77.0 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.188 -0.945 . . . . 0.40000000000000002 108.566 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.17 97.47 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.12 -1.067 . . . . 0.38 108.12 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.556 ' ND2' ' C ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -74.13 -38.59 63.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.495 -0.928 . . . . 0.64000000000000001 108.495 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' CGU . 48.4 t80 -70.97 -46.34 62.53 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.394 -0.817 . . . . 0.75 109.717 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.331 -2.106 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 stop_ save_