data_1kz5_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 1kz5 _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' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.241 0.543 . . . . 15.0 110.261 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 3' ' ' ILE . 19.4 mp0 -62.0 -42.38 99.09 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.326 -0.858 . . . . 15.0 110.234 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.51 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.02 41.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 113.212 0.819 . . . . 15.0 113.212 178.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -116.27 -45.52 2.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.636 -1.29 . . . . 15.0 108.857 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -72.71 -34.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.417 ' CZ3' ' HB2' ' A' ' 2' ' ' GLN . 30.5 m-90 -63.14 -57.24 11.21 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.529 1.157 . . . . 15.0 108.688 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -50.65 -20.05 1.1 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.734 -1.121 . . . . 15.0 109.216 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.49 29.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.857 -0.527 . . . . 15.0 111.317 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -93.75 -70.62 0.7 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.21 -0.931 . . . . 15.0 110.424 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -86.4 -112.26 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.341 -0.85 . . . . 15.0 109.609 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.1 38.94 0.21 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.69 -1.596 . . . . 15.0 106.69 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' LYS . 32.1 mmtt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.067 -0.968 . . . . 15.0 111.779 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.17 0.51 . . . . 15.0 110.112 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 3' ' ' ILE . 7.5 mp0 -102.62 -57.1 2.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 15.0 110.215 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 42.16 38.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 113.095 0.776 . . . . 15.0 113.095 178.657 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -112.38 -48.16 3.04 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.583 -1.323 . . . . 15.0 109.283 178.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.5 mm -71.77 -16.04 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.55 -1.278 . . . . 15.0 107.55 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -86.42 -56.14 3.57 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.528 1.156 . . . . 15.0 108.798 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -50.33 -20.72 1.15 Allowed 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.771 -1.104 . . . . 15.0 109.373 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.13 -12.33 35.85 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.865 -0.522 . . . . 15.0 111.37 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -96.13 -74.18 0.57 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.148 -0.97 . . . . 15.0 110.426 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -85.34 -111.46 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.347 -0.845 . . . . 15.0 109.582 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -160.23 37.95 0.17 Allowed 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.952 -1.499 . . . . 15.0 106.952 179.049 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.2 mmtp . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.03 -0.986 . . . . 15.0 111.966 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.208 0.528 . . . . 15.0 110.199 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 3' ' ' ILE . 2.8 mp0 -61.78 -41.16 97.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 15.0 110.006 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER 40.13 39.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.518 0.675 . . . . 15.0 112.815 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -115.83 -44.76 2.91 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.912 -1.117 . . . . 15.0 109.062 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.04 -34.65 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 106.541 -1.651 . . . . 15.0 106.541 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.7 m-90 -61.88 -57.91 9.96 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.549 1.166 . . . . 15.0 108.571 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -52.15 -19.03 1.72 Allowed 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.091 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -13.66 28.28 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.749 -0.594 . . . . 15.0 111.239 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -92.39 -75.75 0.48 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.177 -0.952 . . . . 15.0 109.858 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.475 ' CD1' ' NZ ' ' A' ' 12' ' ' LYS . 4.7 m95 -85.35 -111.93 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.476 -0.765 . . . . 15.0 109.177 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.25 34.97 0.2 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 106.78 -1.563 . . . . 15.0 106.78 178.687 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' NZ ' ' CD1' ' A' ' 10' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.049 -0.977 . . . . 15.0 111.909 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.378 0.609 . . . . 15.0 110.075 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' HG21 ' A' ' 3' ' ' ILE . 6.4 mp0 -76.9 -41.99 41.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.282 -0.886 . . . . 15.0 110.411 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.527 HG21 ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER 39.48 39.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.544 0.688 . . . . 15.0 112.843 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -115.92 -44.76 2.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.816 -1.177 . . . . 15.0 108.917 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.88 -32.96 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 106.647 -1.612 . . . . 15.0 106.647 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.1 m-90 -65.48 -57.59 7.88 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 122.575 1.178 . . . . 15.0 108.515 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -51.27 -19.76 1.38 Allowed 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.393 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -13.07 50.57 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.789 -0.569 . . . . 15.0 111.147 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -107.99 -76.41 0.61 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.187 -0.946 . . . . 15.0 110.008 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.411 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.2 m95 -90.92 -114.99 0.08 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.312 -0.868 . . . . 15.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' CE ' ' HB3' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -158.56 36.29 0.23 Allowed 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.48 -1.674 . . . . 15.0 106.48 178.69 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 118.006 -0.997 . . . . 15.0 111.635 -177.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.213 0.53 . . . . 15.0 110.183 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.525 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.6 mp0 -138.25 -54.53 0.63 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 15.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.49 40.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 178.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 1.9 mttp -115.7 -43.42 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.695 -1.253 . . . . 15.0 109.008 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.9 mm -75.13 -13.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.473 -1.306 . . . . 15.0 107.473 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -88.95 -57.1 3.02 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 122.557 1.17 . . . . 15.0 108.871 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -51.25 -19.55 1.28 Allowed 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.755 -1.112 . . . . 15.0 109.474 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.87 2.11 48.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.738 -0.601 . . . . 15.0 111.516 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -110.65 -77.97 0.59 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.156 -0.965 . . . . 15.0 110.38 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.404 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.5 m95 -88.5 -111.58 0.07 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.356 -0.84 . . . . 15.0 109.774 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -166.24 31.53 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.02 -1.05 . . . . 15.0 108.37 179.354 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.866 -1.064 . . . . 15.0 112.673 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.282 0.563 . . . . 15.0 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.485 ' O ' HG22 ' A' ' 3' ' ' ILE . 10.9 tp60 -72.84 -36.87 67.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 15.0 110.207 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.91 45.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 113.231 0.826 . . . . 15.0 113.231 178.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -117.14 -46.25 2.72 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.684 -1.26 . . . . 15.0 108.936 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.12 -33.07 49.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.661 -1.607 . . . . 15.0 106.661 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 m-90 -64.92 -57.57 8.44 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.602 1.191 . . . . 15.0 108.464 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -51.48 -19.58 1.49 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.783 -1.099 . . . . 15.0 109.32 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -13.62 35.12 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.803 -0.561 . . . . 15.0 111.325 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -94.94 -71.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.228 -0.92 . . . . 15.0 110.128 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -88.34 -113.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.357 -0.839 . . . . 15.0 109.478 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.3 38.9 0.25 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 106.587 -1.634 . . . . 15.0 106.587 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 117.975 -1.012 . . . . 15.0 111.633 -177.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.191 0.519 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.495 ' O ' HG21 ' A' ' 3' ' ' ILE . 9.1 mp0 -119.27 -44.72 2.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.36 -0.837 . . . . 15.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.36 42.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 113.08 0.77 . . . . 15.0 113.08 178.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 10.9 mttt -114.34 -45.37 3.04 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.594 -1.316 . . . . 15.0 109.134 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.94 -34.88 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 106.45 -1.685 . . . . 15.0 106.45 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -63.87 -58.28 7.25 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.558 1.171 . . . . 15.0 108.829 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.34 -19.22 1.22 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.77 -1.105 . . . . 15.0 109.369 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -3.84 58.28 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.717 -0.614 . . . . 15.0 111.573 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 10' ' ' TRP . 7.6 mmtp -103.18 -64.88 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.096 -1.003 . . . . 15.0 110.385 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.44 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 3.0 m95 -94.29 -81.47 0.38 Allowed 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.403 -0.811 . . . . 15.0 109.641 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.549 ' HG2' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -171.85 -45.44 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 178.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.641 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 117.905 -1.045 . . . . 15.0 109.933 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.052 0.453 . . . . 15.0 110.166 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 3' ' ' ILE . 5.5 mp0 -102.96 -47.29 4.41 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.423 -0.798 . . . . 15.0 110.156 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.51 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.54 40.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 113.269 0.84 . . . . 15.0 113.269 178.715 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 9.8 mttp -114.14 -46.89 2.97 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.727 -1.233 . . . . 15.0 109.273 178.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.3 mm -74.98 -14.7 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.752 -1.203 . . . . 15.0 107.752 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -85.73 -54.91 4.24 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 122.523 1.154 . . . . 15.0 108.856 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' CD2' ' HG2' ' A' ' 12' ' ' LYS . 25.4 t80 -49.86 -20.83 0.97 Allowed 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 114.838 -1.074 . . . . 15.0 109.287 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -13.17 24.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.832 -0.542 . . . . 15.0 111.552 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.3 -65.53 1.0 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.201 -0.937 . . . . 15.0 110.768 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.463 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.3 m95 -86.96 -114.29 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.225 -0.922 . . . . 15.0 109.896 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -169.07 33.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.908 -1.044 . . . . 15.0 112.449 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.186 0.517 . . . . 15.0 110.094 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 3' ' ' ILE . 13.6 mp0 -62.21 -41.58 98.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.341 -0.85 . . . . 15.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.537 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.09 36.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 113.215 0.82 . . . . 15.0 113.215 179.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 14.5 mttt -113.33 -45.24 3.16 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.668 -1.27 . . . . 15.0 109.03 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.3 mm -73.92 -19.3 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 107.414 -1.328 . . . . 15.0 107.414 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -82.14 -56.95 3.61 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 122.489 1.138 . . . . 15.0 108.76 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -50.02 -20.26 0.91 Allowed 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 114.795 -1.093 . . . . 15.0 109.394 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -2.46 56.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.836 -0.54 . . . . 15.0 111.582 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -119.66 -79.77 0.61 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.023 -1.048 . . . . 15.0 110.269 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.456 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.1 m95 -93.79 -115.58 0.1 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.285 -0.884 . . . . 15.0 109.836 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -166.32 31.82 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.259 -1.015 . . . . 15.0 108.259 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 117.895 -1.05 . . . . 15.0 112.685 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.21 0.529 . . . . 15.0 110.181 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 3' ' ' ILE . 2.7 mp0 -113.83 -45.66 3.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 15.0 110.181 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 36.49 39.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 N-CA-C 113.078 0.77 . . . . 15.0 113.078 178.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -115.48 -43.68 3.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.705 -1.247 . . . . 15.0 108.949 178.471 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.3 mm -74.68 -14.44 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.405 -1.332 . . . . 15.0 107.405 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -88.49 -56.59 3.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.566 1.174 . . . . 15.0 108.708 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -50.67 -20.17 1.15 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.734 -1.121 . . . . 15.0 109.32 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 -15.66 27.07 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.891 -0.505 . . . . 15.0 111.224 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -85.34 -62.57 1.5 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 15.0 110.399 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -90.9 -114.58 0.08 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.451 -0.78 . . . . 15.0 109.53 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.94 38.18 0.26 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.534 -1.654 . . . . 15.0 106.534 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 118.01 -0.995 . . . . 15.0 111.601 -177.803 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.247 0.546 . . . . 15.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.496 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.4 tp60 -74.3 -37.33 63.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -0.868 . . . . 15.0 110.207 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.522 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.59 39.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 113.308 0.855 . . . . 15.0 113.308 178.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 7.6 mttp -115.28 -45.49 2.93 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.745 -1.222 . . . . 15.0 109.108 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mm -75.11 -13.85 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 107.721 -1.214 . . . . 15.0 107.721 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.3 m-90 -86.79 -55.11 4.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.444 1.116 . . . . 15.0 108.785 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -51.42 -20.72 1.92 Allowed 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 114.763 -1.108 . . . . 15.0 109.143 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.81 2.93 49.93 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.84 -0.537 . . . . 15.0 111.208 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -110.24 -75.79 0.62 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 15.0 110.464 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.41 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 3.9 m95 -93.23 -117.79 0.09 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.376 -0.827 . . . . 15.0 109.82 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.15 45.97 0.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.685 -1.598 . . . . 15.0 106.685 179.378 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-N 115.699 -0.682 . . . . 15.0 112.469 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.187 0.518 . . . . 15.0 110.198 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.515 ' O ' HG22 ' A' ' 3' ' ' ILE . 23.6 tp60 -102.74 -52.03 3.17 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.353 -0.842 . . . . 15.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 37.95 39.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 113.099 0.777 . . . . 15.0 113.099 178.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 16.8 mttt -115.33 -44.47 2.99 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.668 -1.27 . . . . 15.0 109.092 178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.1 mm -74.19 -15.0 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 107.531 -1.285 . . . . 15.0 107.531 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 26.5 m-90 -86.01 -55.84 3.75 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.64 1.21 . . . . 15.0 108.602 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.9 -19.62 1.86 Allowed 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 114.62 -1.173 . . . . 15.0 109.177 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -3.04 44.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.743 -0.598 . . . . 15.0 111.313 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -98.47 -56.8 2.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.976 . . . . 15.0 110.814 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.456 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.4 m95 -89.18 -115.88 0.06 Allowed 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.175 -0.953 . . . . 15.0 109.683 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -169.14 31.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.218 -1.03 . . . . 15.0 108.218 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 117.979 -1.01 . . . . 15.0 112.516 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.229 0.538 . . . . 15.0 110.037 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.521 ' O ' HG21 ' A' ' 3' ' ' ILE . 3.3 tp60 -125.34 -60.67 1.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 15.0 110.211 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 37.09 44.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 113.131 0.789 . . . . 15.0 113.131 178.654 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.9 -45.66 2.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.614 -1.304 . . . . 15.0 109.062 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.79 -32.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 106.662 -1.607 . . . . 15.0 106.662 176.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 29.8 m-90 -65.98 -57.28 8.16 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.626 1.203 . . . . 15.0 108.631 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.22 -19.32 1.17 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.804 -1.089 . . . . 15.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -8.95 51.7 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.78 -0.575 . . . . 15.0 111.282 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -99.06 -61.94 1.3 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 15.0 110.487 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -86.66 -112.86 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.19 -0.943 . . . . 15.0 109.51 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.57 36.97 0.19 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.7 mmmt . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 117.914 -1.041 . . . . 15.0 111.661 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.291 0.567 . . . . 15.0 110.198 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 3' ' ' ILE . 4.8 tp60 -110.29 -46.32 3.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.865 . . . . 15.0 110.228 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 41.6 38.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 178.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 1.3 mtmt -112.55 -48.21 3.03 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.555 -1.34 . . . . 15.0 109.489 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.9 mm -72.88 -15.01 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.602 -1.258 . . . . 15.0 107.602 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.401 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 27.4 m-90 -86.21 -56.47 3.43 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 122.591 1.186 . . . . 15.0 108.733 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 47.0 t80 -50.21 -20.92 1.15 Allowed 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.327 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -19.12 21.48 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.846 -0.534 . . . . 15.0 111.113 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -91.7 -54.37 3.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.261 -0.899 . . . . 15.0 110.681 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.425 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.1 m95 -90.45 -115.29 0.07 Allowed 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.325 -0.859 . . . . 15.0 109.547 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -159.91 38.43 0.18 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 106.685 -1.598 . . . . 15.0 106.685 179.017 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 38.1 mmtt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 117.98 -1.01 . . . . 15.0 111.652 -177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.142 0.496 . . . . 15.0 110.076 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.514 ' O ' HG21 ' A' ' 3' ' ' ILE . 1.9 tp60 -125.6 -44.42 1.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 15.0 110.205 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.526 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 40.16 38.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 113.337 0.865 . . . . 15.0 113.337 178.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -113.18 -47.17 3.04 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.575 -1.328 . . . . 15.0 109.34 178.537 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.6 mm -73.34 -14.9 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.5 m-90 -86.54 -56.72 3.29 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 122.498 1.142 . . . . 15.0 108.601 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -50.69 -20.39 1.22 Allowed 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.771 -1.104 . . . . 15.0 109.221 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -16.09 21.87 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.859 -0.525 . . . . 15.0 111.266 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -81.35 -59.19 2.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.104 -0.998 . . . . 15.0 110.271 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -89.42 -114.39 0.07 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.389 -0.819 . . . . 15.0 109.239 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.79 33.21 0.22 Allowed 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.952 -1.499 . . . . 15.0 106.952 178.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 2.9 mmtt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 118.054 -0.974 . . . . 15.0 111.714 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.264 0.554 . . . . 15.0 110.17 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 3' ' ' ILE . 1.3 tp60 -121.73 -41.6 2.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -0.874 . . . . 15.0 110.184 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.515 ' O ' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 38.31 39.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 113.046 0.758 . . . . 15.0 113.046 179.079 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 7.4 mttt -116.2 -43.42 2.96 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.688 -1.258 . . . . 15.0 108.836 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.3 mm -75.31 -13.88 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.579 -1.267 . . . . 15.0 107.579 176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -88.0 -55.33 3.8 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.641 1.21 . . . . 15.0 108.519 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -51.21 -20.1 1.46 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.649 -1.159 . . . . 15.0 109.235 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -6.41 49.52 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.824 -0.547 . . . . 15.0 111.258 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -107.57 -73.51 0.69 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.153 -0.967 . . . . 15.0 110.632 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.456 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.4 m95 -85.58 -111.44 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.254 -0.904 . . . . 15.0 109.932 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.06 31.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.904 -1.046 . . . . 15.0 112.562 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.241 0.543 . . . . 15.0 110.261 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 3' ' ' ILE . 19.4 mp0 -62.0 -42.38 99.09 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.326 -0.858 . . . . 15.0 110.234 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.02 41.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 113.212 0.819 . . . . 15.0 113.212 178.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -116.27 -45.52 2.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.636 -1.29 . . . . 15.0 108.857 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -72.71 -34.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.441 ' CZ3' ' HB2' ' A' ' 2' ' ' GLN . 30.5 m-90 -63.14 -57.24 11.21 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.529 1.157 . . . . 15.0 108.688 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -50.65 -20.05 1.1 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.734 -1.121 . . . . 15.0 109.216 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.49 29.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.857 -0.527 . . . . 15.0 111.317 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -93.75 -70.62 0.7 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.21 -0.931 . . . . 15.0 110.424 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.401 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.4 m95 -86.4 -112.26 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.341 -0.85 . . . . 15.0 109.609 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.1 38.94 0.21 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.69 -1.596 . . . . 15.0 106.69 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' LYS . 32.1 mmtt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.067 -0.968 . . . . 15.0 111.779 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.17 0.51 . . . . 15.0 110.112 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 3' ' ' ILE . 7.5 mp0 -102.62 -57.1 2.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 15.0 110.215 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 42.16 38.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 113.095 0.776 . . . . 15.0 113.095 178.657 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -112.38 -48.16 3.04 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.583 -1.323 . . . . 15.0 109.283 178.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.5 mm -71.77 -16.04 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.55 -1.278 . . . . 15.0 107.55 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -86.42 -56.14 3.57 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.528 1.156 . . . . 15.0 108.798 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -50.33 -20.72 1.15 Allowed 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.771 -1.104 . . . . 15.0 109.373 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.13 -12.33 35.85 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.865 -0.522 . . . . 15.0 111.37 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -96.13 -74.18 0.57 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.148 -0.97 . . . . 15.0 110.426 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.406 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.4 m95 -85.34 -111.46 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.347 -0.845 . . . . 15.0 109.582 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -160.23 37.95 0.17 Allowed 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.952 -1.499 . . . . 15.0 106.952 179.049 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.2 mmtp . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.03 -0.986 . . . . 15.0 111.966 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.208 0.528 . . . . 15.0 110.199 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' ' 3' ' ' ILE . 2.8 mp0 -61.78 -41.16 97.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 15.0 110.006 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 40.13 39.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.518 0.675 . . . . 15.0 112.815 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 6.5 mttp -115.83 -44.76 2.91 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.912 -1.117 . . . . 15.0 109.062 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.04 -34.65 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 106.541 -1.651 . . . . 15.0 106.541 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.7 m-90 -61.88 -57.91 9.96 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.549 1.166 . . . . 15.0 108.571 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -52.15 -19.03 1.72 Allowed 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.091 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -13.66 28.28 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.749 -0.594 . . . . 15.0 111.239 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -92.39 -75.75 0.48 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.177 -0.952 . . . . 15.0 109.858 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.413 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.7 m95 -85.35 -111.93 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.476 -0.765 . . . . 15.0 109.177 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.25 34.97 0.2 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 106.78 -1.563 . . . . 15.0 106.78 178.687 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.049 -0.977 . . . . 15.0 111.909 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.378 0.609 . . . . 15.0 110.075 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.4 mp0 -76.9 -41.99 41.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.282 -0.886 . . . . 15.0 110.411 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.48 39.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.544 0.688 . . . . 15.0 112.843 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -115.92 -44.76 2.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.816 -1.177 . . . . 15.0 108.917 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.88 -32.96 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 106.647 -1.612 . . . . 15.0 106.647 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' HB3' ' HG3' ' A' ' 12' ' ' LYS . 30.1 m-90 -65.48 -57.59 7.88 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 122.575 1.178 . . . . 15.0 108.515 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -51.27 -19.76 1.38 Allowed 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.393 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -13.07 50.57 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.789 -0.569 . . . . 15.0 111.147 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -107.99 -76.41 0.61 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.187 -0.946 . . . . 15.0 110.008 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.2 m95 -90.92 -114.99 0.08 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.312 -0.868 . . . . 15.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -158.56 36.29 0.23 Allowed 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.48 -1.674 . . . . 15.0 106.48 178.69 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HG3' ' HB3' ' A' ' 6' ' ' TRP . 15.4 mmtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 118.006 -0.997 . . . . 15.0 111.635 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.213 0.53 . . . . 15.0 110.183 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.6 mp0 -138.25 -54.53 0.63 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 15.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.696 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.49 40.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 178.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 1.9 mttp -115.7 -43.42 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.695 -1.253 . . . . 15.0 109.008 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.9 mm -75.13 -13.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.473 -1.306 . . . . 15.0 107.473 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -88.95 -57.1 3.02 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 122.557 1.17 . . . . 15.0 108.871 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -51.25 -19.55 1.28 Allowed 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.755 -1.112 . . . . 15.0 109.474 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -97.87 2.11 48.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.738 -0.601 . . . . 15.0 111.516 -178.726 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -110.65 -77.97 0.59 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.156 -0.965 . . . . 15.0 110.38 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -88.5 -111.58 0.07 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.356 -0.84 . . . . 15.0 109.774 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -166.24 31.53 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.02 -1.05 . . . . 15.0 108.37 179.354 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.866 -1.064 . . . . 15.0 112.673 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.282 0.563 . . . . 15.0 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 10.9 tp60 -72.84 -36.87 67.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 15.0 110.207 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.91 45.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 113.231 0.826 . . . . 15.0 113.231 178.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -117.14 -46.25 2.72 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.684 -1.26 . . . . 15.0 108.936 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.12 -33.07 49.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.661 -1.607 . . . . 15.0 106.661 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 m-90 -64.92 -57.57 8.44 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.602 1.191 . . . . 15.0 108.464 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -51.48 -19.58 1.49 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.783 -1.099 . . . . 15.0 109.32 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -13.62 35.12 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.803 -0.561 . . . . 15.0 111.325 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -94.94 -71.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.228 -0.92 . . . . 15.0 110.128 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -88.34 -113.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.357 -0.839 . . . . 15.0 109.478 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.3 38.9 0.25 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 106.587 -1.634 . . . . 15.0 106.587 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 117.975 -1.012 . . . . 15.0 111.633 -177.888 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.191 0.519 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' O ' HG22 ' A' ' 3' ' ' ILE . 9.1 mp0 -119.27 -44.72 2.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.36 -0.837 . . . . 15.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.36 42.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 113.08 0.77 . . . . 15.0 113.08 178.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 10.9 mttt -114.34 -45.37 3.04 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.594 -1.316 . . . . 15.0 109.134 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.94 -34.88 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 106.45 -1.685 . . . . 15.0 106.45 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -63.87 -58.28 7.25 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.558 1.171 . . . . 15.0 108.829 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.34 -19.22 1.22 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.77 -1.105 . . . . 15.0 109.369 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -89.39 -3.84 58.28 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.717 -0.614 . . . . 15.0 111.573 -178.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 10' ' ' TRP . 7.6 mmtp -103.18 -64.88 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.096 -1.003 . . . . 15.0 110.385 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.459 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 3.0 m95 -94.29 -81.47 0.38 Allowed 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.403 -0.811 . . . . 15.0 109.641 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -171.85 -45.44 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 178.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.645 ' HD3' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 117.905 -1.045 . . . . 15.0 109.933 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.052 0.453 . . . . 15.0 110.166 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.5 mp0 -102.96 -47.29 4.41 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.423 -0.798 . . . . 15.0 110.156 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.696 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.54 40.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 113.269 0.84 . . . . 15.0 113.269 178.715 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 9.8 mttp -114.14 -46.89 2.97 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.727 -1.233 . . . . 15.0 109.273 178.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.3 mm -74.98 -14.7 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.752 -1.203 . . . . 15.0 107.752 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -85.73 -54.91 4.24 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 122.523 1.154 . . . . 15.0 108.856 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' LYS . 25.4 t80 -49.86 -20.83 0.97 Allowed 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 114.838 -1.074 . . . . 15.0 109.287 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -13.17 24.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.832 -0.542 . . . . 15.0 111.552 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.3 -65.53 1.0 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.201 -0.937 . . . . 15.0 110.768 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.446 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.3 m95 -86.96 -114.29 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.225 -0.922 . . . . 15.0 109.896 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -169.07 33.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.908 -1.044 . . . . 15.0 112.449 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.186 0.517 . . . . 15.0 110.094 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 3' ' ' ILE . 13.6 mp0 -62.21 -41.58 98.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.341 -0.85 . . . . 15.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.09 36.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 113.215 0.82 . . . . 15.0 113.215 179.002 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 14.5 mttt -113.33 -45.24 3.16 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.668 -1.27 . . . . 15.0 109.03 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 5' ' ' ILE . 8.3 mm -73.92 -19.3 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 107.414 -1.328 . . . . 15.0 107.414 177.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -82.14 -56.95 3.61 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 122.489 1.138 . . . . 15.0 108.76 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -50.02 -20.26 0.91 Allowed 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 114.795 -1.093 . . . . 15.0 109.394 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -2.46 56.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.836 -0.54 . . . . 15.0 111.582 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -119.66 -79.77 0.61 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.023 -1.048 . . . . 15.0 110.269 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.443 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.1 m95 -93.79 -115.58 0.1 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.285 -0.884 . . . . 15.0 109.836 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -166.32 31.82 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.259 -1.015 . . . . 15.0 108.259 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 117.895 -1.05 . . . . 15.0 112.685 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.21 0.529 . . . . 15.0 110.181 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 2.7 mp0 -113.83 -45.66 3.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 15.0 110.181 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 36.49 39.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 N-CA-C 113.078 0.77 . . . . 15.0 113.078 178.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -115.48 -43.68 3.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.705 -1.247 . . . . 15.0 108.949 178.471 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 5' ' ' ILE . 8.3 mm -74.68 -14.44 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.405 -1.332 . . . . 15.0 107.405 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -88.49 -56.59 3.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.566 1.174 . . . . 15.0 108.708 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -50.67 -20.17 1.15 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.734 -1.121 . . . . 15.0 109.32 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 -15.66 27.07 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.891 -0.505 . . . . 15.0 111.224 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -85.34 -62.57 1.5 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 15.0 110.399 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -90.9 -114.58 0.08 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.451 -0.78 . . . . 15.0 109.53 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.94 38.18 0.26 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.534 -1.654 . . . . 15.0 106.534 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 118.01 -0.995 . . . . 15.0 111.601 -177.803 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.247 0.546 . . . . 15.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.475 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.4 tp60 -74.3 -37.33 63.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -0.868 . . . . 15.0 110.207 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.59 39.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 113.308 0.855 . . . . 15.0 113.308 178.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 7.6 mttp -115.28 -45.49 2.93 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.745 -1.222 . . . . 15.0 109.108 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 5' ' ' ILE . 8.5 mm -75.11 -13.85 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 107.721 -1.214 . . . . 15.0 107.721 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.3 m-90 -86.79 -55.11 4.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.444 1.116 . . . . 15.0 108.785 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -51.42 -20.72 1.92 Allowed 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 114.763 -1.108 . . . . 15.0 109.143 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.81 2.93 49.93 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.84 -0.537 . . . . 15.0 111.208 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -110.24 -75.79 0.62 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 15.0 110.464 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.42 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 3.9 m95 -93.23 -117.79 0.09 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.376 -0.827 . . . . 15.0 109.82 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.15 45.97 0.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.685 -1.598 . . . . 15.0 106.685 179.378 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-N 115.699 -0.682 . . . . 15.0 112.469 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.187 0.518 . . . . 15.0 110.198 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 6' ' ' TRP . 23.6 tp60 -102.74 -52.03 3.17 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.353 -0.842 . . . . 15.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 37.95 39.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 113.099 0.777 . . . . 15.0 113.099 178.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 16.8 mttt -115.33 -44.47 2.99 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.668 -1.27 . . . . 15.0 109.092 178.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.1 mm -74.19 -15.0 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 107.531 -1.285 . . . . 15.0 107.531 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.457 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 26.5 m-90 -86.01 -55.84 3.75 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.64 1.21 . . . . 15.0 108.602 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.9 -19.62 1.86 Allowed 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 114.62 -1.173 . . . . 15.0 109.177 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -3.04 44.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.743 -0.598 . . . . 15.0 111.313 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -98.47 -56.8 2.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.976 . . . . 15.0 110.814 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.437 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.4 m95 -89.18 -115.88 0.06 Allowed 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.175 -0.953 . . . . 15.0 109.683 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -169.14 31.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.218 -1.03 . . . . 15.0 108.218 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 117.979 -1.01 . . . . 15.0 112.516 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.229 0.538 . . . . 15.0 110.037 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.462 ' O ' HG22 ' A' ' 3' ' ' ILE . 3.3 tp60 -125.34 -60.67 1.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 15.0 110.211 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 37.09 44.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 113.131 0.789 . . . . 15.0 113.131 178.654 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -115.9 -45.66 2.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.614 -1.304 . . . . 15.0 109.062 178.605 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.79 -32.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 106.662 -1.607 . . . . 15.0 106.662 176.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.458 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 29.8 m-90 -65.98 -57.28 8.16 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.626 1.203 . . . . 15.0 108.631 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.22 -19.32 1.17 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.804 -1.089 . . . . 15.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -8.95 51.7 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.78 -0.575 . . . . 15.0 111.282 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -99.06 -61.94 1.3 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 15.0 110.487 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.409 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.4 m95 -86.66 -112.86 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.19 -0.943 . . . . 15.0 109.51 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.57 36.97 0.19 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.7 mmmt . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 117.914 -1.041 . . . . 15.0 111.661 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.291 0.567 . . . . 15.0 110.198 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.8 tp60 -110.29 -46.32 3.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.865 . . . . 15.0 110.228 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 41.6 38.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 178.639 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 1.3 mtmt -112.55 -48.21 3.03 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.555 -1.34 . . . . 15.0 109.489 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.9 mm -72.88 -15.01 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.602 -1.258 . . . . 15.0 107.602 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 27.4 m-90 -86.21 -56.47 3.43 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 122.591 1.186 . . . . 15.0 108.733 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -50.21 -20.92 1.15 Allowed 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.327 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -19.12 21.48 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.846 -0.534 . . . . 15.0 111.113 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -91.7 -54.37 3.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.261 -0.899 . . . . 15.0 110.681 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.411 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.1 m95 -90.45 -115.29 0.07 Allowed 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.325 -0.859 . . . . 15.0 109.547 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -159.91 38.43 0.18 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 106.685 -1.598 . . . . 15.0 106.685 179.017 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HG3' HD11 ' A' ' 3' ' ' ILE . 38.1 mmtt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 117.98 -1.01 . . . . 15.0 111.652 -177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.142 0.496 . . . . 15.0 110.076 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.491 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.9 tp60 -125.6 -44.42 1.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 15.0 110.205 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.687 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 40.16 38.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 113.337 0.865 . . . . 15.0 113.337 178.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -113.18 -47.17 3.04 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.575 -1.328 . . . . 15.0 109.34 178.537 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.433 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.6 mm -73.34 -14.9 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 177.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.5 m-90 -86.54 -56.72 3.29 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 122.498 1.142 . . . . 15.0 108.601 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -50.69 -20.39 1.22 Allowed 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.771 -1.104 . . . . 15.0 109.221 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -16.09 21.87 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.859 -0.525 . . . . 15.0 111.266 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -81.35 -59.19 2.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.104 -0.998 . . . . 15.0 110.271 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -89.42 -114.39 0.07 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.389 -0.819 . . . . 15.0 109.239 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.79 33.21 0.22 Allowed 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.952 -1.499 . . . . 15.0 106.952 178.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.9 mmtt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 118.054 -0.974 . . . . 15.0 111.714 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.264 0.554 . . . . 15.0 110.17 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.3 tp60 -121.73 -41.6 2.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -0.874 . . . . 15.0 110.184 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 38.31 39.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 113.046 0.758 . . . . 15.0 113.046 179.079 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 7.4 mttt -116.2 -43.42 2.96 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.688 -1.258 . . . . 15.0 108.836 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.3 mm -75.31 -13.88 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.579 -1.267 . . . . 15.0 107.579 176.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -88.0 -55.33 3.8 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.641 1.21 . . . . 15.0 108.519 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -51.21 -20.1 1.46 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.649 -1.159 . . . . 15.0 109.235 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -6.41 49.52 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.824 -0.547 . . . . 15.0 111.258 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -107.57 -73.51 0.69 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.153 -0.967 . . . . 15.0 110.632 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.443 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.4 m95 -85.58 -111.44 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.254 -0.904 . . . . 15.0 109.932 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.06 31.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.904 -1.046 . . . . 15.0 112.562 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.241 0.543 . . . . 15.0 110.261 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 3' ' ' ILE . 19.4 mp0 -62.0 -42.38 99.09 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.326 -0.858 . . . . 15.0 110.234 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.02 41.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 113.212 0.819 . . . . 15.0 113.212 178.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -116.27 -45.52 2.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.636 -1.29 . . . . 15.0 108.857 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.8 mt -72.71 -34.12 46.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.441 ' CZ3' ' HB2' ' A' ' 2' ' ' GLN . 30.5 m-90 -63.14 -57.24 11.21 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.529 1.157 . . . . 15.0 108.688 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -50.65 -20.05 1.1 Allowed 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.734 -1.121 . . . . 15.0 109.216 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -15.49 29.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.857 -0.527 . . . . 15.0 111.317 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -93.75 -70.62 0.7 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.21 -0.931 . . . . 15.0 110.424 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.401 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.4 m95 -86.4 -112.26 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.341 -0.85 . . . . 15.0 109.609 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.1 38.94 0.21 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.69 -1.596 . . . . 15.0 106.69 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' LYS . 32.1 mmtt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.067 -0.968 . . . . 15.0 111.779 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.17 0.51 . . . . 15.0 110.112 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.577 ' O ' HG22 ' A' ' 3' ' ' ILE . 7.5 mp0 -102.62 -57.1 2.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 15.0 110.215 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 42.16 38.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 113.095 0.776 . . . . 15.0 113.095 178.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -112.38 -48.16 3.04 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.583 -1.323 . . . . 15.0 109.283 178.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.5 mm -71.77 -16.04 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.55 -1.278 . . . . 15.0 107.55 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -86.42 -56.14 3.57 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.528 1.156 . . . . 15.0 108.798 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -50.33 -20.72 1.15 Allowed 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.771 -1.104 . . . . 15.0 109.373 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.13 -12.33 35.85 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.865 -0.522 . . . . 15.0 111.37 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -96.13 -74.18 0.57 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.148 -0.97 . . . . 15.0 110.426 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.406 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.4 m95 -85.34 -111.46 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.347 -0.845 . . . . 15.0 109.582 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -160.23 37.95 0.17 Allowed 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.952 -1.499 . . . . 15.0 106.952 179.049 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' LYS . 5.2 mmtp . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.03 -0.986 . . . . 15.0 111.966 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.208 0.528 . . . . 15.0 110.199 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' ' 3' ' ' ILE . 2.8 mp0 -61.78 -41.16 97.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 15.0 110.006 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 40.13 39.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-O 121.518 0.675 . . . . 15.0 112.815 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 6.5 mttp -115.83 -44.76 2.91 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.912 -1.117 . . . . 15.0 109.062 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.04 -34.65 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 106.541 -1.651 . . . . 15.0 106.541 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.7 m-90 -61.88 -57.91 9.96 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 122.549 1.166 . . . . 15.0 108.571 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -52.15 -19.03 1.72 Allowed 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.091 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -13.66 28.28 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.749 -0.594 . . . . 15.0 111.239 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -92.39 -75.75 0.48 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.177 -0.952 . . . . 15.0 109.858 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.413 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.7 m95 -85.35 -111.93 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.476 -0.765 . . . . 15.0 109.177 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.25 34.97 0.2 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 106.78 -1.563 . . . . 15.0 106.78 178.687 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.049 -0.977 . . . . 15.0 111.909 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.378 0.609 . . . . 15.0 110.075 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.4 mp0 -76.9 -41.99 41.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.282 -0.886 . . . . 15.0 110.411 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.48 39.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 121.544 0.688 . . . . 15.0 112.843 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -115.92 -44.76 2.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.816 -1.177 . . . . 15.0 108.917 178.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.88 -32.96 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 106.647 -1.612 . . . . 15.0 106.647 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' HB3' ' HG3' ' A' ' 12' ' ' LYS . 30.1 m-90 -65.48 -57.59 7.88 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 122.575 1.178 . . . . 15.0 108.515 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -51.27 -19.76 1.38 Allowed 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.393 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -13.07 50.57 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.789 -0.569 . . . . 15.0 111.147 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -107.99 -76.41 0.61 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.187 -0.946 . . . . 15.0 110.008 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.2 m95 -90.92 -114.99 0.08 Allowed 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.312 -0.868 . . . . 15.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -158.56 36.29 0.23 Allowed 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.48 -1.674 . . . . 15.0 106.48 178.69 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HG3' ' HB3' ' A' ' 6' ' ' TRP . 15.4 mmtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 118.006 -0.997 . . . . 15.0 111.635 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.213 0.53 . . . . 15.0 110.183 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.6 mp0 -138.25 -54.53 0.63 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 15.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.696 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.49 40.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 113.104 0.779 . . . . 15.0 113.104 178.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 1.9 mttp -115.7 -43.42 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.695 -1.253 . . . . 15.0 109.008 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.9 mm -75.13 -13.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 107.473 -1.306 . . . . 15.0 107.473 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -88.95 -57.1 3.02 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 122.557 1.17 . . . . 15.0 108.871 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -51.25 -19.55 1.28 Allowed 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.755 -1.112 . . . . 15.0 109.474 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -97.87 2.11 48.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.738 -0.601 . . . . 15.0 111.516 -178.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -110.65 -77.97 0.59 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.156 -0.965 . . . . 15.0 110.38 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -88.5 -111.58 0.07 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.356 -0.84 . . . . 15.0 109.774 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -166.24 31.53 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.02 -1.05 . . . . 15.0 108.37 179.354 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 117.866 -1.064 . . . . 15.0 112.673 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.282 0.563 . . . . 15.0 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 10.9 tp60 -72.84 -36.87 67.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 15.0 110.207 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.91 45.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 113.231 0.826 . . . . 15.0 113.231 178.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -117.14 -46.25 2.72 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.684 -1.26 . . . . 15.0 108.936 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.12 -33.07 49.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 106.661 -1.607 . . . . 15.0 106.661 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 m-90 -64.92 -57.57 8.44 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 122.602 1.191 . . . . 15.0 108.464 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -51.48 -19.58 1.49 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.783 -1.099 . . . . 15.0 109.32 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -13.62 35.12 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.803 -0.561 . . . . 15.0 111.325 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -94.94 -71.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.228 -0.92 . . . . 15.0 110.128 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -88.34 -113.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.357 -0.839 . . . . 15.0 109.478 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.3 38.9 0.25 Allowed 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 106.587 -1.634 . . . . 15.0 106.587 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 117.975 -1.012 . . . . 15.0 111.633 -177.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.191 0.519 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' O ' HG22 ' A' ' 3' ' ' ILE . 9.1 mp0 -119.27 -44.72 2.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.36 -0.837 . . . . 15.0 110.324 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 36.36 42.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 113.08 0.77 . . . . 15.0 113.08 178.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 10.9 mttt -114.34 -45.37 3.04 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.594 -1.316 . . . . 15.0 109.134 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.94 -34.88 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 106.45 -1.685 . . . . 15.0 106.45 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -63.87 -58.28 7.25 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.558 1.171 . . . . 15.0 108.829 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.34 -19.22 1.22 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.77 -1.105 . . . . 15.0 109.369 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -89.39 -3.84 58.28 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.717 -0.614 . . . . 15.0 111.573 -178.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 10' ' ' TRP . 7.6 mmtp -103.18 -64.88 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.096 -1.003 . . . . 15.0 110.385 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.459 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 3.0 m95 -94.29 -81.47 0.38 Allowed 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.403 -0.811 . . . . 15.0 109.641 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -171.85 -45.44 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 178.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.645 ' HD3' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 117.905 -1.045 . . . . 15.0 109.933 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.052 0.453 . . . . 15.0 110.166 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.5 mp0 -102.96 -47.29 4.41 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.423 -0.798 . . . . 15.0 110.156 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.696 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.54 40.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 113.269 0.84 . . . . 15.0 113.269 178.715 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 9.8 mttp -114.14 -46.89 2.97 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.727 -1.233 . . . . 15.0 109.273 178.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.3 mm -74.98 -14.7 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 107.752 -1.203 . . . . 15.0 107.752 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.5 m-90 -85.73 -54.91 4.24 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 122.523 1.154 . . . . 15.0 108.856 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' LYS . 25.4 t80 -49.86 -20.83 0.97 Allowed 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 114.838 -1.074 . . . . 15.0 109.287 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -13.17 24.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.832 -0.542 . . . . 15.0 111.552 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.3 -65.53 1.0 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.201 -0.937 . . . . 15.0 110.768 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.446 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.3 m95 -86.96 -114.29 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.225 -0.922 . . . . 15.0 109.896 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -169.07 33.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.908 -1.044 . . . . 15.0 112.449 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.186 0.517 . . . . 15.0 110.094 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 3' ' ' ILE . 13.6 mp0 -62.21 -41.58 98.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.341 -0.85 . . . . 15.0 110.228 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.09 36.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 113.215 0.82 . . . . 15.0 113.215 179.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 14.5 mttt -113.33 -45.24 3.16 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.668 -1.27 . . . . 15.0 109.03 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 5' ' ' ILE . 8.3 mm -73.92 -19.3 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 107.414 -1.328 . . . . 15.0 107.414 177.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -82.14 -56.95 3.61 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 122.489 1.138 . . . . 15.0 108.76 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -50.02 -20.26 0.91 Allowed 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 114.795 -1.093 . . . . 15.0 109.394 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -2.46 56.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.836 -0.54 . . . . 15.0 111.582 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -119.66 -79.77 0.61 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.023 -1.048 . . . . 15.0 110.269 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.443 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.1 m95 -93.79 -115.58 0.1 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.285 -0.884 . . . . 15.0 109.836 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -166.32 31.82 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.259 -1.015 . . . . 15.0 108.259 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 117.895 -1.05 . . . . 15.0 112.685 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.21 0.529 . . . . 15.0 110.181 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 2.7 mp0 -113.83 -45.66 3.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 15.0 110.181 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 36.49 39.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 N-CA-C 113.078 0.77 . . . . 15.0 113.078 178.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -115.48 -43.68 3.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.705 -1.247 . . . . 15.0 108.949 178.471 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 5' ' ' ILE . 8.3 mm -74.68 -14.44 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 107.405 -1.332 . . . . 15.0 107.405 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -88.49 -56.59 3.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.566 1.174 . . . . 15.0 108.708 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -50.67 -20.17 1.15 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-N 114.734 -1.121 . . . . 15.0 109.32 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 -15.66 27.07 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.891 -0.505 . . . . 15.0 111.224 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -85.34 -62.57 1.5 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.185 -0.947 . . . . 15.0 110.399 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -90.9 -114.58 0.08 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.451 -0.78 . . . . 15.0 109.53 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.94 38.18 0.26 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 106.534 -1.654 . . . . 15.0 106.534 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 118.01 -0.995 . . . . 15.0 111.601 -177.803 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.247 0.546 . . . . 15.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.475 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.4 tp60 -74.3 -37.33 63.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -0.868 . . . . 15.0 110.207 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 39.59 39.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 113.308 0.855 . . . . 15.0 113.308 178.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 7.6 mttp -115.28 -45.49 2.93 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.745 -1.222 . . . . 15.0 109.108 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 5' ' ' ILE . 8.5 mm -75.11 -13.85 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 107.721 -1.214 . . . . 15.0 107.721 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.3 m-90 -86.79 -55.11 4.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 122.444 1.116 . . . . 15.0 108.785 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -51.42 -20.72 1.92 Allowed 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 114.763 -1.108 . . . . 15.0 109.143 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.81 2.93 49.93 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.84 -0.537 . . . . 15.0 111.208 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -110.24 -75.79 0.62 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 15.0 110.464 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.42 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 3.9 m95 -93.23 -117.79 0.09 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.376 -0.827 . . . . 15.0 109.82 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.15 45.97 0.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.685 -1.598 . . . . 15.0 106.685 179.378 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-N 115.699 -0.682 . . . . 15.0 112.469 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.187 0.518 . . . . 15.0 110.198 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 6' ' ' TRP . 23.6 tp60 -102.74 -52.03 3.17 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.353 -0.842 . . . . 15.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 37.95 39.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 113.099 0.777 . . . . 15.0 113.099 178.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 16.8 mttt -115.33 -44.47 2.99 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.668 -1.27 . . . . 15.0 109.092 178.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.1 mm -74.19 -15.0 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 107.531 -1.285 . . . . 15.0 107.531 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.457 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 26.5 m-90 -86.01 -55.84 3.75 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.64 1.21 . . . . 15.0 108.602 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.9 -19.62 1.86 Allowed 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 114.62 -1.173 . . . . 15.0 109.177 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -3.04 44.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.743 -0.598 . . . . 15.0 111.313 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -98.47 -56.8 2.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.976 . . . . 15.0 110.814 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.437 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.4 m95 -89.18 -115.88 0.06 Allowed 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.175 -0.953 . . . . 15.0 109.683 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -169.14 31.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.218 -1.03 . . . . 15.0 108.218 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 117.979 -1.01 . . . . 15.0 112.516 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.229 0.538 . . . . 15.0 110.037 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.462 ' O ' HG22 ' A' ' 3' ' ' ILE . 3.3 tp60 -125.34 -60.67 1.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 15.0 110.211 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.3 OUTLIER 37.09 44.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 113.131 0.789 . . . . 15.0 113.131 178.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -115.9 -45.66 2.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.614 -1.304 . . . . 15.0 109.062 178.605 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.79 -32.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 106.662 -1.607 . . . . 15.0 106.662 176.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.458 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 29.8 m-90 -65.98 -57.28 8.16 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.626 1.203 . . . . 15.0 108.631 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.22 -19.32 1.17 Allowed 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.804 -1.089 . . . . 15.0 109.388 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -8.95 51.7 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.78 -0.575 . . . . 15.0 111.282 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -99.06 -61.94 1.3 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 15.0 110.487 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.409 ' HB3' ' CE ' ' A' ' 11' ' ' LYS . 4.4 m95 -86.66 -112.86 0.05 OUTLIER 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.19 -0.943 . . . . 15.0 109.51 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.57 36.97 0.19 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 106.785 -1.561 . . . . 15.0 106.785 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.7 mmmt . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 117.914 -1.041 . . . . 15.0 111.661 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.291 0.567 . . . . 15.0 110.198 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.8 tp60 -110.29 -46.32 3.44 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.865 . . . . 15.0 110.228 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 41.6 38.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 113.415 0.894 . . . . 15.0 113.415 178.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 1.3 mtmt -112.55 -48.21 3.03 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.555 -1.34 . . . . 15.0 109.489 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.9 mm -72.88 -15.01 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.602 -1.258 . . . . 15.0 107.602 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' A' ' 2' ' ' GLN . 27.4 m-90 -86.21 -56.47 3.43 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 122.591 1.186 . . . . 15.0 108.733 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -50.21 -20.92 1.15 Allowed 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 114.69 -1.141 . . . . 15.0 109.327 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -19.12 21.48 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.846 -0.534 . . . . 15.0 111.113 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -91.7 -54.37 3.91 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.261 -0.899 . . . . 15.0 110.681 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.411 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.1 m95 -90.45 -115.29 0.07 Allowed 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.325 -0.859 . . . . 15.0 109.547 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -159.91 38.43 0.18 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 106.685 -1.598 . . . . 15.0 106.685 179.017 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HG3' HD11 ' A' ' 3' ' ' ILE . 38.1 mmtt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 117.98 -1.01 . . . . 15.0 111.652 -177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.142 0.496 . . . . 15.0 110.076 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.491 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.9 tp60 -125.6 -44.42 1.83 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 15.0 110.205 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.687 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 40.16 38.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 113.337 0.865 . . . . 15.0 113.337 178.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -113.18 -47.17 3.04 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.575 -1.328 . . . . 15.0 109.34 178.537 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.433 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.6 mm -73.34 -14.9 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 177.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.5 m-90 -86.54 -56.72 3.29 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 122.498 1.142 . . . . 15.0 108.601 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -50.69 -20.39 1.22 Allowed 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.771 -1.104 . . . . 15.0 109.221 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -16.09 21.87 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.859 -0.525 . . . . 15.0 111.266 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -81.35 -59.19 2.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.104 -0.998 . . . . 15.0 110.271 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -89.42 -114.39 0.07 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.389 -0.819 . . . . 15.0 109.239 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.79 33.21 0.22 Allowed 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.952 -1.499 . . . . 15.0 106.952 178.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.9 mmtt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 118.054 -0.974 . . . . 15.0 111.714 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.264 0.554 . . . . 15.0 110.17 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.3 tp60 -121.73 -41.6 2.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -0.874 . . . . 15.0 110.184 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 3' ' ' ILE . 0.4 OUTLIER 38.31 39.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 113.046 0.758 . . . . 15.0 113.046 179.079 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 2' ' ' GLN . 7.4 mttt -116.2 -43.42 2.96 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.688 -1.258 . . . . 15.0 108.836 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 5' ' ' ILE . 7.3 mm -75.31 -13.88 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.579 -1.267 . . . . 15.0 107.579 176.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -88.0 -55.33 3.8 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.641 1.21 . . . . 15.0 108.519 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -51.21 -20.1 1.46 Allowed 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 114.649 -1.159 . . . . 15.0 109.235 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 -6.41 49.52 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.824 -0.547 . . . . 15.0 111.258 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -107.57 -73.51 0.69 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.153 -0.967 . . . . 15.0 110.632 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.443 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 4.4 m95 -85.58 -111.44 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.254 -0.904 . . . . 15.0 109.932 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.06 31.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.904 -1.046 . . . . 15.0 112.562 -178.647 . . . . . . . . 2 2 . 1 stop_ save_