data_1c9a_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 1c9a _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.548 ' HB2' ' CB ' ' A' ' 5' ' ' ALA . 2.4 p-10 -110.31 110.63 21.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -1.143 . . . . 0.0 110.452 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.99 -24.29 11.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -98.86 -10.8 22.41 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.716 0.77 . . . . 0.0 109.086 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.591 ' N ' ' CD1' ' A' ' 4' ' ' TRP . . . -77.69 -5.38 50.31 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -121.13 -38.29 2.83 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.525 0.679 . . . . 0.0 110.1 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.71 -18.4 5.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.2 p80 -64.97 -49.58 69.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.264 -1.139 . . . . 0.0 109.992 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.657 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -89.98 -11.2 42.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.552 0.691 . . . . 0.0 109.815 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.79 20.69 15.86 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.955 0 O-C-N 121.149 -0.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 13.8 p-10 -104.28 103.97 13.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -1.166 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -100.19 -21.46 15.51 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.749 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -75.48 5.62 5.65 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.912 179.585 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -73.14 -0.44 14.17 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.25 -36.95 3.27 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.658 0.742 . . . . 0.0 109.581 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.25 -19.81 3.05 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.4 p80 -64.31 -49.24 72.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -1.162 . . . . 0.0 109.963 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.25 0.0 OUTLIER -84.52 -9.51 58.28 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.597 0.713 . . . . 0.0 109.726 179.301 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmm -102.66 20.78 16.58 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.927 0 O-C-N 121.206 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -92.11 104.41 16.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.219 -1.165 . . . . 0.0 110.452 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.53 -20.24 15.81 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.527 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -75.87 3.9 9.16 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.801 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.527 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.21 -5.89 25.53 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.66 -37.45 3.13 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.724 0.773 . . . . 0.0 109.363 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.38 -18.64 3.64 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.5 p80 -63.86 -48.5 76.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.238 -1.154 . . . . 0.0 109.843 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.658 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.254 0.1 OUTLIER -80.36 -8.2 59.41 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.537 0.684 . . . . 0.0 109.797 179.633 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 20.65 17.21 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.926 0 O-C-N 121.208 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.524 ' HB3' ' CB ' ' A' ' 5' ' ' ALA . 77.7 m-20 -110.06 115.96 30.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -1.151 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -81.08 -0.25 39.11 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.554 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -80.13 -0.53 36.34 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.71 -45.08 2.19 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.634 0.73 . . . . 0.0 110.068 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.39 -18.61 5.21 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 1.9 p80 -66.07 -48.5 70.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 110.306 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.641 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -75.71 -11.54 60.02 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.582 -0.698 . . . . 0.0 109.849 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.95 21.03 16.38 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.888 0 O-C-N 121.188 -0.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.86 105.04 5.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.361 -1.082 . . . . 0.0 110.406 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.3 -22.05 15.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.531 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -75.17 2.97 9.54 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.811 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.531 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.75 -5.66 26.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.61 -37.35 3.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.715 0.769 . . . . 0.0 109.444 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.73 -19.06 3.02 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.8 p80 -64.11 -48.59 75.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.261 -1.14 . . . . 0.0 109.959 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.662 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -83.77 -10.89 57.78 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.512 0.672 . . . . 0.0 109.767 179.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.56 20.88 16.27 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.941 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.543 ' HB2' ' CB ' ' A' ' 5' ' ' ALA . 8.3 p30 -107.38 115.85 30.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -1.171 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.51 -32.47 11.8 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -79.61 -3.14 45.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.543 ' CB ' ' HB2' ' A' ' 2' ' ' ASN . . . -79.25 -2.21 40.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.67 -39.93 2.59 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.608 0.718 . . . . 0.0 110.042 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.19 -18.18 6.29 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.0 p80 -66.4 -49.54 66.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.212 -1.169 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -86.84 -11.45 50.83 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.531 0.682 . . . . 0.0 109.787 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.89 20.59 17.15 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 O-C-N 121.25 -0.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -67.25 105.94 1.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.224 -1.162 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.535 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.96 -23.68 15.22 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.53 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -75.14 3.81 7.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.902 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.53 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -70.28 -4.34 21.47 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.45 -37.81 3.1 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.822 0.82 . . . . 0.0 109.392 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.79 -19.87 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.8 p80 -64.29 -49.06 73.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -1.129 . . . . 0.0 109.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.661 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -87.9 -11.63 47.09 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.55 0.691 . . . . 0.0 109.669 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.0 tpp -102.36 20.99 15.87 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.139 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 5' ' ' ALA . 7.2 m-80 -103.93 113.16 26.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -1.143 . . . . 0.0 110.182 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.94 -33.12 11.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -85.69 -0.34 54.88 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.561 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -87.14 6.03 34.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.508 ' CG2' ' SD ' ' A' ' 10' ' ' MET . 1.3 m -120.53 -36.22 3.24 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.487 0.66 . . . . 0.0 110.439 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.02 -17.0 8.83 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.651 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.6 p80 -70.63 -50.02 41.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.231 -1.158 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.651 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.251 0.0 OUTLIER -90.2 -9.95 46.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -179.848 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.508 ' SD ' ' CG2' ' A' ' 6' ' ' THR . 2.1 mtt -104.04 22.17 15.12 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -98.64 103.99 15.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -1.187 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.536 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.17 -23.56 14.81 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.21 6.97 5.67 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.513 -0.742 . . . . 0.0 109.877 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.504 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -74.98 2.43 10.48 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.764 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.78 -46.29 2.36 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.764 0.793 . . . . 0.0 110.129 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.09 -19.71 2.8 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.646 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.1 p80 -72.55 -49.0 35.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -1.124 . . . . 0.0 110.462 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.646 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -67.47 -18.92 65.26 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.687 0.756 . . . . 0.0 109.608 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.79 21.39 13.64 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.928 0 O-C-N 121.253 -0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 2' ' ' ASN . 29.3 p30 -83.65 103.7 13.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -1.159 . . . . 0.0 110.405 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.7 -20.84 15.42 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -77.28 6.88 5.94 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.606 -0.684 . . . . 0.0 109.912 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -75.34 2.4 11.33 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.696 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 10' ' ' MET . 0.8 OUTLIER -120.47 -42.12 2.56 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.645 0.736 . . . . 0.0 110.069 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.83 -23.57 1.05 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.2 p80 -74.23 -49.5 23.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.541 -0.976 . . . . 0.0 110.504 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.254 0.0 OUTLIER -86.69 -10.61 53.35 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.553 -0.717 . . . . 0.0 109.749 179.642 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -102.56 21.25 15.61 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.884 0 O-C-N 121.232 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -108.37 105.12 14.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -1.164 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.89 -25.26 14.67 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -74.27 3.19 7.64 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.54 -0.725 . . . . 0.0 109.912 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.53 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -67.91 -6.23 20.87 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.37 -40.68 2.66 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.833 0.825 . . . . 0.0 109.545 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.89 -19.37 2.37 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.666 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.4 p80 -64.16 -48.29 76.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -1.102 . . . . 0.0 110.02 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.666 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.252 0.0 OUTLIER -78.62 -8.64 58.84 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.566 0.698 . . . . 0.0 109.877 179.801 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.94 20.95 16.52 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.892 0 O-C-N 121.183 -0.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.4 101.23 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.154 -1.204 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.529 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -103.03 -19.73 14.46 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 178.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.519 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -76.83 5.86 7.09 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.841 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -74.85 0.85 14.19 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.2 -36.14 3.45 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.727 0.775 . . . . 0.0 109.658 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.87 -19.98 2.72 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.1 p80 -64.36 -49.25 72.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -1.151 . . . . 0.0 110.191 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.655 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -88.6 -9.43 52.23 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.59 -0.694 . . . . 0.0 109.846 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.12 21.2 16.22 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.187 -0.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 2.2 m-20 -70.11 107.31 3.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.124 -1.221 . . . . 0.0 110.038 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -107.2 -23.06 12.4 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.608 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -90.84 -9.42 46.46 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.87 0.843 . . . . 0.0 108.755 178.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.553 ' N ' ' CD1' ' A' ' 4' ' ' TRP . . . -81.37 2.37 28.69 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.552 ' CG2' ' N ' ' A' ' 7' ' ' GLY 0.256 0.4 OUTLIER -121.22 -49.53 2.17 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 122.233 1.016 . . . . 0.0 109.55 -178.999 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.552 ' N ' ' CG2' ' A' ' 6' ' ' THR . . . -44.31 -23.05 0.42 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 1.6 p80 -65.16 -49.59 69.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -1.161 . . . . 0.0 109.932 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.641 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -83.47 -14.69 51.89 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.692 0.758 . . . . 0.0 109.755 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtp -101.81 21.25 14.87 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.935 0 O-C-N 121.219 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.557 ' HB3' ' CB ' ' A' ' 5' ' ' ALA . 1.6 m-20 -102.15 104.8 15.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -1.142 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 2' ' ' ASN . 0.8 OUTLIER -107.4 -22.28 12.62 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CD1' ' N ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -107.71 -11.4 15.43 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.815 0.817 . . . . 0.0 108.958 179.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.603 ' N ' ' CD1' ' A' ' 4' ' ' TRP . . . -80.87 1.53 30.38 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.39 -40.45 2.58 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.494 0.664 . . . . 0.0 110.387 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.27 -18.01 6.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.7 p80 -68.56 -49.51 58.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -1.119 . . . . 0.0 110.453 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.641 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -82.11 -11.18 58.9 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.48 -0.763 . . . . 0.0 109.817 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.31 21.77 15.34 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.194 -0.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 4.7 m-20 -107.21 105.9 16.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 0.0 110.303 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.36 -24.91 15.01 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.46 7.68 5.16 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.563 -0.711 . . . . 0.0 109.932 179.425 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.495 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -77.57 6.19 7.65 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.744 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.99 -47.03 2.3 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.807 0.813 . . . . 0.0 110.119 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.91 -20.6 1.93 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.633 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.2 p80 -68.01 -49.61 60.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -1.129 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.633 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -74.27 -14.18 60.88 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.707 0.765 . . . . 0.0 109.544 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.97 20.4 15.57 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.912 0 O-C-N 121.269 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -101.9 104.83 15.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -1.171 . . . . 0.0 110.485 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.89 -21.77 16.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.93 8.73 4.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.624 -0.672 . . . . 0.0 110.011 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.483 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -72.67 1.67 7.94 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.887 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -45.86 2.53 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.796 0.808 . . . . 0.0 109.468 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.24 -19.19 2.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.3 p80 -64.9 -48.35 74.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -1.128 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.661 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -68.81 -11.45 60.43 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.582 0.705 . . . . 0.0 109.789 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.93 20.43 16.48 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.949 0 O-C-N 121.151 -0.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.98 105.58 17.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -1.139 . . . . 0.0 110.399 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.72 -21.21 15.27 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.751 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.57 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -77.01 5.61 7.75 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.986 -0.685 . . . . 0.0 109.875 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.503 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.03 -4.54 17.38 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.66 -39.83 2.82 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.767 0.794 . . . . 0.0 109.302 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.87 -18.68 2.93 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.8 p80 -64.32 -49.04 73.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -1.143 . . . . 0.0 109.921 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.659 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -85.52 -12.09 52.56 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.529 0.681 . . . . 0.0 109.835 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 mmt -102.64 21.1 15.96 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.935 0 O-C-N 121.21 -0.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 1.9 m-20 -63.31 104.67 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -1.203 . . . . 0.0 110.246 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.525 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -101.57 -23.22 14.32 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -77.94 4.4 12.17 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.77 179.566 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.498 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -73.77 -0.39 15.57 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.419 -0.912 . . . . 0.0 108.665 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.7 -44.33 2.44 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.713 0.768 . . . . 0.0 110.112 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.01 -19.58 2.63 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.9 p80 -74.27 -50.18 20.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.287 -1.125 . . . . 0.0 110.498 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.642 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.253 0.0 OUTLIER -85.46 -9.58 57.28 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.502 -0.749 . . . . 0.0 109.77 179.648 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.77 20.36 16.46 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.964 0 O-C-N 121.127 -0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.59 104.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.208 -1.172 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD21 ' N ' ' A' ' 4' ' ' TRP . 1.1 pt? -103.1 -17.62 15.31 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -80.83 9.82 5.84 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.468 0.652 . . . . 0.0 109.638 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -78.1 8.17 5.19 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.576 ' CG2' ' N ' ' A' ' 7' ' ' GLY 0.261 0.4 OUTLIER -120.0 -49.63 2.3 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.177 0.989 . . . . 0.0 109.762 -178.959 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.576 ' N ' ' CG2' ' A' ' 6' ' ' THR . . . -42.5 -24.88 0.25 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.649 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 1.7 p80 -70.46 -48.55 55.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.649 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.256 0.0 OUTLIER -74.12 -6.47 47.87 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.575 0.702 . . . . 0.0 109.72 179.519 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.24 20.4 17.8 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 O-C-N 121.13 -0.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 12.5 p-10 -85.25 102.3 13.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.224 -1.162 . . . . 0.0 110.625 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -102.23 -19.74 14.94 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.764 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.546 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -75.62 4.73 7.15 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.57 -0.706 . . . . 0.0 110.01 179.584 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -66.29 -8.45 25.08 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.452 HG21 ' SD ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -119.83 -41.69 2.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.74 0.781 . . . . 0.0 109.528 -179.593 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.15 -18.62 3.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.8 p80 -66.25 -50.24 64.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -1.165 . . . . 0.0 109.863 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.658 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -92.3 -12.2 33.12 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.533 0.682 . . . . 0.0 109.993 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -102.37 20.73 16.36 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.905 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.854 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.4 p-10 -110.31 110.63 21.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -1.143 . . . . 0.0 110.452 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 2' ' ' ASN . 1.2 mt -108.99 -24.29 11.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -98.86 -10.8 22.41 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.716 0.77 . . . . 0.0 109.086 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . . . -77.69 -5.38 50.31 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -121.13 -38.29 2.83 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.525 0.679 . . . . 0.0 110.1 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.71 -18.4 5.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.67 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 5.1 p-80 -64.97 -49.58 69.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.264 -1.139 . . . . 0.0 109.992 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.67 ' HB2' ' CE1' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -89.98 -11.2 42.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.552 0.691 . . . . 0.0 109.815 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.79 20.69 15.86 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.955 0 O-C-N 121.149 -0.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 13.8 p-10 -104.28 103.97 13.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -1.166 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.908 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -100.19 -21.46 15.51 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.749 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -75.48 5.62 5.65 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.912 179.585 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -73.14 -0.44 14.17 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.25 -36.95 3.27 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.658 0.742 . . . . 0.0 109.581 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.25 -19.81 3.05 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 5.3 p-80 -64.31 -49.24 72.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -1.162 . . . . 0.0 109.963 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.25 0.0 OUTLIER -84.52 -9.51 58.28 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.597 0.713 . . . . 0.0 109.726 179.301 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmm -102.66 20.78 16.58 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.927 0 O-C-N 121.206 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -92.11 104.41 16.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.219 -1.165 . . . . 0.0 110.452 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.887 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.53 -20.24 15.81 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.686 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.527 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -75.87 3.9 9.16 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.801 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.527 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.21 -5.89 25.53 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.66 -37.45 3.13 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.724 0.773 . . . . 0.0 109.363 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.38 -18.64 3.64 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 4.1 p-80 -63.86 -48.5 76.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.238 -1.154 . . . . 0.0 109.843 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.658 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.254 0.1 OUTLIER -80.36 -8.2 59.41 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.537 0.684 . . . . 0.0 109.797 179.633 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 20.65 17.21 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.926 0 O-C-N 121.208 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.865 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . 77.7 m-20 -110.06 115.96 30.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -1.151 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -81.08 -0.25 39.11 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.865 ' HB2' ' HB3' ' A' ' 2' ' ' ASN . . . -80.13 -0.53 36.34 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.71 -45.08 2.19 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.634 0.73 . . . . 0.0 110.068 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.39 -18.61 5.21 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.77 ' CD2' ' N ' ' A' ' 9' ' ' PHE . 2.6 p-80 -66.07 -48.5 70.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 110.306 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.77 ' N ' ' CD2' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -75.71 -11.54 60.02 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.582 -0.698 . . . . 0.0 109.849 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.95 21.03 16.38 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.888 0 O-C-N 121.188 -0.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.86 105.04 5.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.361 -1.082 . . . . 0.0 110.406 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.3 -22.05 15.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.529 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -75.17 2.97 9.54 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.811 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.529 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.75 -5.66 26.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.61 -37.35 3.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.715 0.769 . . . . 0.0 109.444 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.73 -19.06 3.02 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 4.4 p-80 -64.11 -48.59 75.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.261 -1.14 . . . . 0.0 109.959 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.662 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -83.77 -10.89 57.78 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.512 0.672 . . . . 0.0 109.767 179.725 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.56 20.88 16.27 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.941 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.802 ' HB2' ' HB2' ' A' ' 5' ' ' ALA . 8.3 p30 -107.38 115.85 30.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -1.171 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.51 -32.47 11.8 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -79.61 -3.14 45.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.419 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.802 ' HB2' ' HB2' ' A' ' 2' ' ' ASN . . . -79.25 -2.21 40.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.67 -39.93 2.59 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.608 0.718 . . . . 0.0 110.042 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.19 -18.18 6.29 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 4.6 p-80 -66.4 -49.54 66.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.212 -1.169 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -86.84 -11.45 50.83 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.531 0.682 . . . . 0.0 109.787 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.89 20.59 17.15 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 O-C-N 121.25 -0.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -67.25 105.94 1.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.224 -1.162 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.96 -23.68 15.22 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -75.14 3.81 7.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.902 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.533 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -70.28 -4.34 21.47 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.45 -37.81 3.1 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.822 0.82 . . . . 0.0 109.392 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.79 -19.87 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 4.6 p-80 -64.29 -49.06 73.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -1.129 . . . . 0.0 109.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.661 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -87.9 -11.63 47.09 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.55 0.691 . . . . 0.0 109.669 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.0 tpp -102.36 20.99 15.87 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.139 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.668 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . 7.2 m-80 -103.93 113.16 26.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -1.143 . . . . 0.0 110.182 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.94 -33.12 11.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -85.69 -0.34 54.88 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.414 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.668 ' HB2' ' HB3' ' A' ' 2' ' ' ASN . . . -87.14 6.03 34.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.508 ' CG2' ' SD ' ' A' ' 10' ' ' MET . 1.3 m -120.53 -36.22 3.24 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.487 0.66 . . . . 0.0 110.439 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.02 -17.0 8.83 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.698 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 6.7 p-80 -70.63 -50.02 41.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.231 -1.158 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.698 ' HB2' ' CE1' ' A' ' 8' ' ' HIS 0.251 0.0 OUTLIER -90.2 -9.95 46.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -179.848 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.508 ' SD ' ' CG2' ' A' ' 6' ' ' THR . 2.1 mtt -104.04 22.17 15.12 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -98.64 103.99 15.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -1.187 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.951 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.17 -23.56 14.81 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.21 6.97 5.67 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.513 -0.742 . . . . 0.0 109.877 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.507 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -74.98 2.43 10.48 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.764 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -120.78 -46.29 2.36 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.764 0.793 . . . . 0.0 110.129 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 6' ' ' THR . . . -50.09 -19.71 2.8 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.738 ' CD2' ' N ' ' A' ' 9' ' ' PHE . 3.0 p-80 -72.55 -49.0 35.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -1.124 . . . . 0.0 110.462 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.738 ' N ' ' CD2' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -67.47 -18.92 65.26 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.687 0.756 . . . . 0.0 109.608 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.79 21.39 13.64 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.928 0 O-C-N 121.253 -0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 2' ' ' ASN . 29.3 p30 -83.65 103.7 13.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -1.159 . . . . 0.0 110.405 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.92 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.7 -20.84 15.42 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -77.28 6.88 5.94 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.606 -0.684 . . . . 0.0 109.912 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.51 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -75.34 2.4 11.33 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.696 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.567 HG23 ' HG3' ' A' ' 10' ' ' MET . 0.8 OUTLIER -120.47 -42.12 2.56 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.645 0.736 . . . . 0.0 110.069 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.83 -23.57 1.05 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 4.8 p-80 -74.23 -49.5 23.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.541 -0.976 . . . . 0.0 110.504 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.254 0.0 OUTLIER -86.69 -10.61 53.35 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.553 -0.717 . . . . 0.0 109.749 179.642 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.567 ' HG3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -102.56 21.25 15.61 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.884 0 O-C-N 121.232 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -108.37 105.12 14.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -1.164 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.954 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.89 -25.26 14.67 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.833 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -74.27 3.19 7.64 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.54 -0.725 . . . . 0.0 109.912 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.532 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -67.91 -6.23 20.87 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.37 -40.68 2.66 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.833 0.825 . . . . 0.0 109.545 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.89 -19.37 2.37 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.666 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.8 p-80 -64.16 -48.29 76.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -1.102 . . . . 0.0 110.02 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.666 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.252 0.0 OUTLIER -78.62 -8.64 58.84 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.566 0.698 . . . . 0.0 109.877 179.801 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.94 20.95 16.52 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.892 0 O-C-N 121.183 -0.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.4 101.23 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.154 -1.204 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.892 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -103.03 -19.73 14.46 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 178.844 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.52 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -76.83 5.86 7.09 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.841 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -74.85 0.85 14.19 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.2 -36.14 3.45 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.727 0.775 . . . . 0.0 109.658 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.87 -19.98 2.72 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 4.9 p-80 -64.36 -49.25 72.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -1.151 . . . . 0.0 110.191 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.655 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -88.6 -9.43 52.23 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.59 -0.694 . . . . 0.0 109.846 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.12 21.2 16.22 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.187 -0.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 2.2 m-20 -70.11 107.31 3.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.124 -1.221 . . . . 0.0 110.038 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.9 pt? -107.2 -23.06 12.4 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.608 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -90.84 -9.42 46.46 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.87 0.843 . . . . 0.0 108.755 178.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.553 ' N ' ' CD1' ' A' ' 4' ' ' TRP . . . -81.37 2.37 28.69 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 7' ' ' GLY 0.256 0.4 OUTLIER -121.22 -49.53 2.17 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 122.233 1.016 . . . . 0.0 109.55 -178.999 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.627 ' N ' HG22 ' A' ' 6' ' ' THR . . . -44.31 -23.05 0.42 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.76 ' CD2' ' N ' ' A' ' 9' ' ' PHE . 2.2 p-80 -65.16 -49.59 69.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -1.161 . . . . 0.0 109.932 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.76 ' N ' ' CD2' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -83.47 -14.69 51.89 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.692 0.758 . . . . 0.0 109.755 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtp -101.81 21.25 14.87 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.935 0 O-C-N 121.219 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.937 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 1.6 m-20 -102.15 104.8 15.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -1.142 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 2' ' ' ASN . 0.8 OUTLIER -107.4 -22.28 12.62 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CD1' ' N ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -107.71 -11.4 15.43 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.815 0.817 . . . . 0.0 108.958 179.242 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.937 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . . . -80.87 1.53 30.38 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.39 -40.45 2.58 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.494 0.664 . . . . 0.0 110.387 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.27 -18.01 6.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 5.8 p-80 -68.56 -49.51 58.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -1.119 . . . . 0.0 110.453 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.641 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -82.11 -11.18 58.9 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.48 -0.763 . . . . 0.0 109.817 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.31 21.77 15.34 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.194 -0.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 4.7 m-20 -107.21 105.9 16.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 0.0 110.303 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.947 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.36 -24.91 15.01 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.46 7.68 5.16 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.563 -0.711 . . . . 0.0 109.932 179.425 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.498 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -77.57 6.19 7.65 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.744 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -120.99 -47.03 2.3 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.807 0.813 . . . . 0.0 110.119 -179.173 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 6' ' ' THR . . . -48.91 -20.6 1.93 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.766 ' CD2' ' N ' ' A' ' 9' ' ' PHE . 2.7 p-80 -68.01 -49.61 60.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -1.129 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.766 ' N ' ' CD2' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -74.27 -14.18 60.88 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.707 0.765 . . . . 0.0 109.544 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.97 20.4 15.57 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.912 0 O-C-N 121.269 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -101.9 104.83 15.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -1.171 . . . . 0.0 110.485 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.938 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.89 -21.77 16.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.809 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.93 8.73 4.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.624 -0.672 . . . . 0.0 110.011 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.485 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -72.67 1.67 7.94 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.887 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -119.27 -45.86 2.53 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.796 0.808 . . . . 0.0 109.468 -179.385 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 6' ' ' THR . . . -50.24 -19.19 2.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 7.2 p-80 -64.9 -48.35 74.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -1.128 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.661 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -68.81 -11.45 60.43 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.582 0.705 . . . . 0.0 109.789 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.93 20.43 16.48 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.949 0 O-C-N 121.151 -0.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.98 105.58 17.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -1.139 . . . . 0.0 110.399 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.896 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.72 -21.21 15.27 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.751 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.57 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -77.01 5.61 7.75 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.986 -0.685 . . . . 0.0 109.875 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.03 -4.54 17.38 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.66 -39.83 2.82 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.767 0.794 . . . . 0.0 109.302 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.87 -18.68 2.93 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 4.4 p-80 -64.32 -49.04 73.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -1.143 . . . . 0.0 109.921 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.659 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -85.52 -12.09 52.56 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.529 0.681 . . . . 0.0 109.835 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 mmt -102.64 21.1 15.96 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.935 0 O-C-N 121.21 -0.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 1.9 m-20 -63.31 104.67 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -1.203 . . . . 0.0 110.246 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.937 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -101.57 -23.22 14.32 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -77.94 4.4 12.17 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.77 179.566 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -73.77 -0.39 15.57 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.419 -0.912 . . . . 0.0 108.665 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -120.7 -44.33 2.44 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.713 0.768 . . . . 0.0 110.112 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' N ' HG22 ' A' ' 6' ' ' THR . . . -50.01 -19.58 2.63 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 4.2 p-80 -74.27 -50.18 20.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.287 -1.125 . . . . 0.0 110.498 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.642 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.253 0.0 OUTLIER -85.46 -9.58 57.28 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.502 -0.749 . . . . 0.0 109.77 179.648 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.77 20.36 16.46 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.964 0 O-C-N 121.127 -0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.59 104.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.208 -1.172 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 4' ' ' TRP . 1.1 pt? -103.1 -17.62 15.31 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.561 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -80.83 9.82 5.84 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.468 0.652 . . . . 0.0 109.638 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.474 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -78.1 8.17 5.19 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 7' ' ' GLY 0.261 0.4 OUTLIER -120.0 -49.63 2.3 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.177 0.989 . . . . 0.0 109.762 -178.959 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.627 ' N ' HG22 ' A' ' 6' ' ' THR . . . -42.5 -24.88 0.25 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.775 ' CD2' ' N ' ' A' ' 9' ' ' PHE . 2.2 p-80 -70.46 -48.55 55.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.775 ' N ' ' CD2' ' A' ' 8' ' ' HIS 0.256 0.0 OUTLIER -74.12 -6.47 47.87 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.575 0.702 . . . . 0.0 109.72 179.519 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.24 20.4 17.8 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 O-C-N 121.13 -0.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 12.5 p-10 -85.25 102.3 13.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.224 -1.162 . . . . 0.0 110.625 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.9 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -102.23 -19.74 14.94 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.764 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.546 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -75.62 4.73 7.15 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.57 -0.706 . . . . 0.0 110.01 179.584 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -66.29 -8.45 25.08 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.725 HG23 ' SD ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -119.83 -41.69 2.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.74 0.781 . . . . 0.0 109.528 -179.593 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.15 -18.62 3.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.714 ' CE1' ' HB2' ' A' ' 9' ' ' PHE . 5.1 p-80 -66.25 -50.24 64.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -1.165 . . . . 0.0 109.863 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.714 ' HB2' ' CE1' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -92.3 -12.2 33.12 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.533 0.682 . . . . 0.0 109.993 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.725 ' SD ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -102.37 20.73 16.36 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.905 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.854 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.4 p-10 -110.31 110.63 21.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -1.143 . . . . 0.0 110.452 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 2' ' ' ASN . 1.2 mt -108.99 -24.29 11.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -98.86 -10.8 22.41 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.716 0.77 . . . . 0.0 109.086 179.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 2' ' ' ASN . . . -77.69 -5.38 50.31 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -121.13 -38.29 2.83 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.525 0.679 . . . . 0.0 110.1 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.71 -18.4 5.53 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.2 p80 -64.97 -49.58 69.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.264 -1.139 . . . . 0.0 109.992 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.657 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -89.98 -11.2 42.31 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.552 0.691 . . . . 0.0 109.815 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.79 20.69 15.86 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.955 0 O-C-N 121.149 -0.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 13.8 p-10 -104.28 103.97 13.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -1.166 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.908 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -100.19 -21.46 15.51 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -75.48 5.62 5.65 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.912 179.585 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -73.14 -0.44 14.17 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.25 -36.95 3.27 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.658 0.742 . . . . 0.0 109.581 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.25 -19.81 3.05 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.4 p80 -64.31 -49.24 72.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -1.162 . . . . 0.0 109.963 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.25 0.0 OUTLIER -84.52 -9.51 58.28 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.597 0.713 . . . . 0.0 109.726 179.301 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmm -102.66 20.78 16.58 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.927 0 O-C-N 121.206 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -92.11 104.41 16.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.219 -1.165 . . . . 0.0 110.452 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.887 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.53 -20.24 15.81 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.527 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -75.87 3.9 9.16 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.801 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.527 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.21 -5.89 25.53 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.66 -37.45 3.13 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.724 0.773 . . . . 0.0 109.363 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.38 -18.64 3.64 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.5 p80 -63.86 -48.5 76.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.238 -1.154 . . . . 0.0 109.843 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.658 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.254 0.1 OUTLIER -80.36 -8.2 59.41 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.537 0.684 . . . . 0.0 109.797 179.633 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.08 20.65 17.21 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.926 0 O-C-N 121.208 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.865 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . 77.7 m-20 -110.06 115.96 30.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -1.151 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.44 -32.89 12.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.558 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -81.08 -0.25 39.11 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.865 ' HB2' ' HB3' ' A' ' 2' ' ' ASN . . . -80.13 -0.53 36.34 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.71 -45.08 2.19 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.634 0.73 . . . . 0.0 110.068 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.39 -18.61 5.21 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 1.9 p80 -66.07 -48.5 70.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -1.154 . . . . 0.0 110.306 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.641 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -75.71 -11.54 60.02 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.582 -0.698 . . . . 0.0 109.849 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.95 21.03 16.38 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.888 0 O-C-N 121.188 -0.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.86 105.04 5.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.361 -1.082 . . . . 0.0 110.406 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.3 -22.05 15.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.529 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -75.17 2.97 9.54 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.811 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.529 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.75 -5.66 26.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.61 -37.35 3.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 121.715 0.769 . . . . 0.0 109.444 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.73 -19.06 3.02 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.8 p80 -64.11 -48.59 75.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.261 -1.14 . . . . 0.0 109.959 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.662 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -83.77 -10.89 57.78 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.512 0.672 . . . . 0.0 109.767 179.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.56 20.88 16.27 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.941 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.802 ' HB2' ' HB2' ' A' ' 5' ' ' ALA . 8.3 p30 -107.38 115.85 30.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -1.171 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.51 -32.47 11.8 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -79.61 -3.14 45.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.802 ' HB2' ' HB2' ' A' ' 2' ' ' ASN . . . -79.25 -2.21 40.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.67 -39.93 2.59 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.608 0.718 . . . . 0.0 110.042 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.19 -18.18 6.29 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.0 p80 -66.4 -49.54 66.48 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.212 -1.169 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -86.84 -11.45 50.83 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.531 0.682 . . . . 0.0 109.787 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.89 20.59 17.15 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 O-C-N 121.25 -0.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -67.25 105.94 1.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.224 -1.162 . . . . 0.0 110.407 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.96 -23.68 15.22 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -75.14 3.81 7.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.902 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.533 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -70.28 -4.34 21.47 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.45 -37.81 3.1 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.822 0.82 . . . . 0.0 109.392 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.79 -19.87 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.8 p80 -64.29 -49.06 73.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -1.129 . . . . 0.0 109.85 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.661 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -87.9 -11.63 47.09 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.55 0.691 . . . . 0.0 109.669 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.0 tpp -102.36 20.99 15.87 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.139 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.668 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . 7.2 m-80 -103.93 113.16 26.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -1.143 . . . . 0.0 110.182 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.94 -33.12 11.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -85.69 -0.34 54.88 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.668 ' HB2' ' HB3' ' A' ' 2' ' ' ASN . . . -87.14 6.03 34.86 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.508 ' CG2' ' SD ' ' A' ' 10' ' ' MET . 1.3 m -120.53 -36.22 3.24 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.487 0.66 . . . . 0.0 110.439 -178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.02 -17.0 8.83 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.651 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.6 p80 -70.63 -50.02 41.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.231 -1.158 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.651 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.251 0.0 OUTLIER -90.2 -9.95 46.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -179.848 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.508 ' SD ' ' CG2' ' A' ' 6' ' ' THR . 2.1 mtt -104.04 22.17 15.12 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -98.64 103.99 15.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -1.187 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.951 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.17 -23.56 14.81 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.21 6.97 5.67 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.513 -0.742 . . . . 0.0 109.877 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.507 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -74.98 2.43 10.48 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.479 -0.888 . . . . 0.0 108.764 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -120.78 -46.29 2.36 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.764 0.793 . . . . 0.0 110.129 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 6' ' ' THR . . . -50.09 -19.71 2.8 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.646 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.1 p80 -72.55 -49.0 35.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -1.124 . . . . 0.0 110.462 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.646 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -67.47 -18.92 65.26 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.687 0.756 . . . . 0.0 109.608 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.79 21.39 13.64 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.928 0 O-C-N 121.253 -0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 2' ' ' ASN . 29.3 p30 -83.65 103.7 13.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -1.159 . . . . 0.0 110.405 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.92 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.7 -20.84 15.42 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.534 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -77.28 6.88 5.94 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.606 -0.684 . . . . 0.0 109.912 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.51 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -75.34 2.4 11.33 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.696 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.567 HG23 ' HG3' ' A' ' 10' ' ' MET . 0.8 OUTLIER -120.47 -42.12 2.56 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.645 0.736 . . . . 0.0 110.069 -179.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.83 -23.57 1.05 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.2 p80 -74.23 -49.5 23.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.541 -0.976 . . . . 0.0 110.504 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.254 0.0 OUTLIER -86.69 -10.61 53.35 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.553 -0.717 . . . . 0.0 109.749 179.642 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.567 ' HG3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -102.56 21.25 15.61 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.884 0 O-C-N 121.232 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -108.37 105.12 14.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -1.164 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.954 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.89 -25.26 14.67 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -74.27 3.19 7.64 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.54 -0.725 . . . . 0.0 109.912 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.532 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -67.91 -6.23 20.87 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.37 -40.68 2.66 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.833 0.825 . . . . 0.0 109.545 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.89 -19.37 2.37 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.666 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.4 p80 -64.16 -48.29 76.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.327 -1.102 . . . . 0.0 110.02 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.666 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.252 0.0 OUTLIER -78.62 -8.64 58.84 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.566 0.698 . . . . 0.0 109.877 179.801 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.94 20.95 16.52 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.892 0 O-C-N 121.183 -0.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.4 101.23 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.154 -1.204 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.892 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -103.03 -19.73 14.46 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.201 -1.036 . . . . 0.0 108.201 178.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.52 ' HD1' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -76.83 5.86 7.09 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.841 179.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -74.85 0.85 14.19 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.2 -36.14 3.45 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.727 0.775 . . . . 0.0 109.658 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.87 -19.98 2.72 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.1 p80 -64.36 -49.25 72.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -1.151 . . . . 0.0 110.191 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.655 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -88.6 -9.43 52.23 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.59 -0.694 . . . . 0.0 109.846 179.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.12 21.2 16.22 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.187 -0.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 2.2 m-20 -70.11 107.31 3.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.124 -1.221 . . . . 0.0 110.038 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.9 pt? -107.2 -23.06 12.4 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.608 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -90.84 -9.42 46.46 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.87 0.843 . . . . 0.0 108.755 178.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.553 ' N ' ' CD1' ' A' ' 4' ' ' TRP . . . -81.37 2.37 28.69 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 7' ' ' GLY 0.256 0.4 OUTLIER -121.22 -49.53 2.17 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 122.233 1.016 . . . . 0.0 109.55 -178.999 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.627 ' N ' HG22 ' A' ' 6' ' ' THR . . . -44.31 -23.05 0.42 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 1.6 p80 -65.16 -49.59 69.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -1.161 . . . . 0.0 109.932 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.641 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -83.47 -14.69 51.89 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.692 0.758 . . . . 0.0 109.755 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.5 mtp -101.81 21.25 14.87 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.935 0 O-C-N 121.219 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.937 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 1.6 m-20 -102.15 104.8 15.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -1.142 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 2' ' ' ASN . 0.8 OUTLIER -107.4 -22.28 12.62 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CD1' ' N ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -107.71 -11.4 15.43 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.815 0.817 . . . . 0.0 108.958 179.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.937 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . . . -80.87 1.53 30.38 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.39 -40.45 2.58 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.494 0.664 . . . . 0.0 110.387 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.27 -18.01 6.33 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.7 p80 -68.56 -49.51 58.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.297 -1.119 . . . . 0.0 110.453 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.641 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -82.11 -11.18 58.9 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.48 -0.763 . . . . 0.0 109.817 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.31 21.77 15.34 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.945 0 O-C-N 121.194 -0.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 4.7 m-20 -107.21 105.9 16.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 0.0 110.303 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.947 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.36 -24.91 15.01 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.46 7.68 5.16 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.563 -0.711 . . . . 0.0 109.932 179.425 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.498 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -77.57 6.19 7.65 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 119.589 -0.844 . . . . 0.0 108.744 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -120.99 -47.03 2.3 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.807 0.813 . . . . 0.0 110.119 -179.173 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 6' ' ' THR . . . -48.91 -20.6 1.93 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.633 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.2 p80 -68.01 -49.61 60.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -1.129 . . . . 0.0 110.307 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.633 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -74.27 -14.18 60.88 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.707 0.765 . . . . 0.0 109.544 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.97 20.4 15.57 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.912 0 O-C-N 121.269 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -101.9 104.83 15.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.209 -1.171 . . . . 0.0 110.485 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.938 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -98.89 -21.77 16.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -77.93 8.73 4.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.624 -0.672 . . . . 0.0 110.011 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.485 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -72.67 1.67 7.94 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.887 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -119.27 -45.86 2.53 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.796 0.808 . . . . 0.0 109.468 -179.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 6' ' ' THR . . . -50.24 -19.19 2.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 3.3 p80 -64.9 -48.35 74.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -1.128 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.661 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -68.81 -11.45 60.43 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.582 0.705 . . . . 0.0 109.789 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.93 20.43 16.48 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.949 0 O-C-N 121.151 -0.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.98 105.58 17.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -1.139 . . . . 0.0 110.399 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.896 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -100.72 -21.21 15.27 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.751 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.57 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -77.01 5.61 7.75 Favored 'General case' 0 C--N 1.305 -1.349 0 C-N-CA 119.986 -0.685 . . . . 0.0 109.875 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -69.03 -4.54 17.38 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.66 -39.83 2.82 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.767 0.794 . . . . 0.0 109.302 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.87 -18.68 2.93 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.659 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.8 p80 -64.32 -49.04 73.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.257 -1.143 . . . . 0.0 109.921 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.659 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -85.52 -12.09 52.56 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.529 0.681 . . . . 0.0 109.835 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 mmt -102.64 21.1 15.96 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.935 0 O-C-N 121.21 -0.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 1.9 m-20 -63.31 104.67 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -1.203 . . . . 0.0 110.246 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.937 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -101.57 -23.22 14.32 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -77.94 4.4 12.17 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.77 179.566 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -73.77 -0.39 15.57 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.419 -0.912 . . . . 0.0 108.665 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -120.7 -44.33 2.44 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.713 0.768 . . . . 0.0 110.112 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' N ' HG22 ' A' ' 6' ' ' THR . . . -50.01 -19.58 2.63 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.9 p80 -74.27 -50.18 20.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.287 -1.125 . . . . 0.0 110.498 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.642 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.253 0.0 OUTLIER -85.46 -9.58 57.28 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.502 -0.749 . . . . 0.0 109.77 179.648 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.77 20.36 16.46 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.964 0 O-C-N 121.127 -0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -66.59 104.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.208 -1.172 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 4' ' ' TRP . 1.1 pt? -103.1 -17.62 15.31 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.561 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -80.83 9.82 5.84 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.468 0.652 . . . . 0.0 109.638 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.474 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -78.1 8.17 5.19 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 7' ' ' GLY 0.261 0.4 OUTLIER -120.0 -49.63 2.3 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.177 0.989 . . . . 0.0 109.762 -178.959 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.627 ' N ' HG22 ' A' ' 6' ' ' THR . . . -42.5 -24.88 0.25 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.649 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 1.7 p80 -70.46 -48.55 55.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.403 -1.057 . . . . 0.0 110.106 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.649 ' N ' ' CG ' ' A' ' 8' ' ' HIS 0.256 0.0 OUTLIER -74.12 -6.47 47.87 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.575 0.702 . . . . 0.0 109.72 179.519 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.24 20.4 17.8 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 O-C-N 121.13 -0.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 2' ' ' ASN . 12.5 p-10 -85.25 102.3 13.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.224 -1.162 . . . . 0.0 110.625 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.9 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -102.23 -19.74 14.94 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.764 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.546 ' CD1' ' C ' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -75.62 4.73 7.15 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.57 -0.706 . . . . 0.0 110.01 179.584 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' N ' ' HD1' ' A' ' 4' ' ' TRP . . . -66.29 -8.45 25.08 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.725 HG23 ' SD ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -119.83 -41.69 2.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.74 0.781 . . . . 0.0 109.528 -179.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.15 -18.62 3.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 9' ' ' PHE . 2.8 p80 -66.25 -50.24 64.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -1.165 . . . . 0.0 109.863 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.658 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -92.3 -12.2 33.12 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.533 0.682 . . . . 0.0 109.993 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.725 ' SD ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -102.37 20.73 16.36 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.905 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_