data_6nm2_residue ############################ # Computer software used # ############################ 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 6nm2 _Structure_validation_residue.Date_analyzed 2020-07-10 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.442 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 4.4 m-90 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.517 0.675 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 68.2 p-90 -163.07 -38.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.733 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.647 ' CZ3' HD12 ' A' ' 4' ' ' LEU . 30.4 p-90 -76.57 -23.09 53.53 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.647 HD12 ' CZ3' ' A' ' 3' ' ' TRP . 1.1 tp -68.82 -51.23 42.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.36 69.26 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.806 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 3.5 pttt -70.53 -43.75 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.36 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.585 HG23 ' CE2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.59 -25.99 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.5 m95 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.991 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.52 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 1.3 m-90 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.532 0.682 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 61.3 p-90 -158.82 -40.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.867 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.644 ' CZ3' HD12 ' A' ' 4' ' ' LEU . 18.4 p-90 -69.85 -30.7 68.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.678 ' O ' ' CD1' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -59.25 -50.51 73.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -69.4 -35.6 75.92 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.013 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -70.24 -35.45 73.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.623 HG21 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -78.16 -25.49 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.0 m95 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.92 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.483 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 2.8 m-90 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.423 0.63 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 65.7 p-90 -163.8 -38.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.882 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.649 ' CZ3' HD12 ' A' ' 4' ' ' LEU . 20.5 p-90 -73.25 -31.49 64.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.649 HD12 ' CZ3' ' A' ' 3' ' ' TRP . 0.6 OUTLIER -59.13 -51.34 70.45 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.468 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -36.54 82.92 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.226 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -66.58 -40.94 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.635 HG23 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -74.56 -25.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 24.7 m95 . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.984 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.432 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 5.0 m-90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.461 0.648 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.3 p-90 -163.61 -39.89 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.681 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.651 ' CZ3' HD11 ' A' ' 4' ' ' LEU . 30.1 p-90 -75.41 -23.78 57.07 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.651 HD11 ' CZ3' ' A' ' 3' ' ' TRP . 1.3 tp -68.63 -51.16 45.28 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -29.37 65.92 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.776 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 1.9 pttp -71.86 -43.24 65.81 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.592 HG21 ' CE2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.9 -24.97 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 22.3 m95 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.9 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.457 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 4.1 m-90 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.362 0.601 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.532 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.6 p-90 -153.08 -40.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.693 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.66 ' CZ3' HD13 ' A' ' 4' ' ' LEU . 31.7 p-90 -74.91 -23.89 58.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.66 HD13 ' CZ3' ' A' ' 3' ' ' TRP . 1.4 tp -69.43 -50.79 42.46 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 121.327 0.585 . . . . 0.0 109.579 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -29.76 67.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.059 -0.657 . . . . 0.0 110.68 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -43.11 65.49 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.588 HG23 ' CE2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.85 -25.38 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.1 m95 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.885 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.442 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 4.4 m-90 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.517 0.675 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 68.2 p-90 -163.07 -38.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.733 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.647 ' CZ3' HD12 ' A' ' 4' ' ' LEU . 30.4 p-90 -76.57 -23.09 53.53 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.647 HD12 ' CZ3' ' A' ' 3' ' ' TRP . 1.1 tp -68.82 -51.23 42.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.1 OUTLIER -69.78 -31.36 69.26 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.806 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 3.5 pttt -70.53 -43.75 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.36 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.585 HG23 ' CE2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.59 -25.99 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.5 m95 -111.66 30.24 7.15 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.991 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.52 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 1.3 m-90 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.532 0.682 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 61.3 p-90 -158.82 -40.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.867 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.644 ' CZ3' HD12 ' A' ' 4' ' ' LEU . 18.4 p-90 -69.85 -30.7 68.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.678 ' O ' ' CD1' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -59.25 -50.51 73.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.1 OUTLIER -69.4 -35.6 75.92 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.013 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -70.24 -35.45 73.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.623 HG21 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -78.16 -25.49 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.0 m95 -111.99 30.73 6.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.92 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.547 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.216 -1.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.483 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 2.8 m-90 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.423 0.63 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 65.7 p-90 -163.8 -38.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.882 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.649 ' CZ3' HD12 ' A' ' 4' ' ' LEU . 20.5 p-90 -73.25 -31.49 64.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.649 HD12 ' CZ3' ' A' ' 3' ' ' TRP . 0.6 OUTLIER -59.13 -51.34 70.45 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.468 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -66.55 -36.54 82.92 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.226 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -66.58 -40.94 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.635 HG23 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -74.56 -25.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 24.7 m95 -111.96 31.87 5.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.984 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.564 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.37 -1.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.432 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 5.0 m-90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.461 0.648 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.3 p-90 -163.61 -39.89 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.681 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.651 ' CZ3' HD11 ' A' ' 4' ' ' LEU . 30.1 p-90 -75.41 -23.78 57.07 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.651 HD11 ' CZ3' ' A' ' 3' ' ' TRP . 1.3 tp -68.63 -51.16 45.28 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -70.45 -29.37 65.92 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.776 -179.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 1.9 pttp -71.86 -43.24 65.81 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.592 HG21 ' CE2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.9 -24.97 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 22.3 m95 -113.0 29.52 7.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.9 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 120.396 -1.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.457 ' N ' ' CE3' ' A' ' 1' ' ' TRP . 4.1 m-90 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.362 0.601 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.532 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.6 p-90 -153.08 -40.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.693 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.66 ' CZ3' HD13 ' A' ' 4' ' ' LEU . 31.7 p-90 -74.91 -23.89 58.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.66 HD13 ' CZ3' ' A' ' 3' ' ' TRP . 1.4 tp -69.43 -50.79 42.46 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 121.327 0.585 . . . . 0.0 109.579 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -69.35 -29.76 67.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.059 -0.657 . . . . 0.0 110.68 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -43.11 65.49 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.588 HG23 ' CE2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.85 -25.38 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.1 m95 -112.75 29.84 7.63 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.885 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.551 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.311 -1.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.432 ' CE3' HD23 ' A' ' 4' ' ' LEU . 4.4 m-90 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.517 0.675 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 68.2 p-90 -163.07 -38.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.733 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.724 ' CH2' HD13 ' A' ' 4' ' ' LEU . 30.4 p-90 -76.57 -23.09 53.53 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.724 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.1 tp -68.82 -51.23 42.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.36 69.26 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.806 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 3.5 pttt -70.53 -43.75 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.36 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.59 -25.99 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.302 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.5 m95 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.991 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.443 ' CE3' ' N ' ' A' ' 1' ' ' TRP . 1.3 m-90 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.532 0.682 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 61.3 p-90 -158.82 -40.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.867 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.683 ' CZ3' HD13 ' A' ' 4' ' ' LEU . 18.4 p-90 -69.85 -30.7 68.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.683 HD13 ' CZ3' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -59.25 -50.51 73.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -69.4 -35.6 75.92 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.013 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -70.24 -35.45 73.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -78.16 -25.49 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.538 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.0 m95 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.92 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.402 ' CE3' ' N ' ' A' ' 1' ' ' TRP . 2.8 m-90 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.423 0.63 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 65.7 p-90 -163.8 -38.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.882 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CH2' HD13 ' A' ' 4' ' ' LEU . 20.5 p-90 -73.25 -31.49 64.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.693 HD13 ' CH2' ' A' ' 3' ' ' TRP . 0.6 OUTLIER -59.13 -51.34 70.45 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.468 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -36.54 82.92 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.226 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -66.58 -40.94 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -74.56 -25.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 24.7 m95 . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.984 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.434 ' CE3' HD23 ' A' ' 4' ' ' LEU . 5.0 m-90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.461 0.648 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.3 p-90 -163.61 -39.89 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.681 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.737 ' CH2' HD13 ' A' ' 4' ' ' LEU . 30.1 p-90 -75.41 -23.78 57.07 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.737 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.3 tp -68.63 -51.16 45.28 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -29.37 65.92 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.776 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 1.9 pttp -71.86 -43.24 65.81 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.619 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.9 -24.97 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 22.3 m95 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.9 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.462 ' CE3' HD23 ' A' ' 4' ' ' LEU . 4.1 m-90 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.362 0.601 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.532 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.6 p-90 -153.08 -40.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.693 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.739 ' CH2' HD13 ' A' ' 4' ' ' LEU . 31.7 p-90 -74.91 -23.89 58.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.739 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.4 tp -69.43 -50.79 42.46 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 121.327 0.585 . . . . 0.0 109.579 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -69.35 -29.76 67.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.059 -0.657 . . . . 0.0 110.68 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -43.11 65.49 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.85 -25.38 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.1 m95 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.885 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.432 ' CE3' HD23 ' A' ' 4' ' ' LEU . 4.4 m-90 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.517 0.675 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 68.2 p-90 -163.07 -38.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.733 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.724 ' CH2' HD13 ' A' ' 4' ' ' LEU . 30.4 p-90 -76.57 -23.09 53.53 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.724 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.1 tp -68.82 -51.23 42.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.1 OUTLIER -69.78 -31.36 69.26 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.806 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 3.5 pttt -70.53 -43.75 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.36 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.59 -25.99 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.302 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.5 m95 -111.66 30.24 7.15 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.991 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.443 ' CE3' ' N ' ' A' ' 1' ' ' TRP . 1.3 m-90 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.532 0.682 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 61.3 p-90 -158.82 -40.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.867 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.683 ' CZ3' HD13 ' A' ' 4' ' ' LEU . 18.4 p-90 -69.85 -30.7 68.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.683 HD13 ' CZ3' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -59.25 -50.51 73.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.1 OUTLIER -69.4 -35.6 75.92 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.013 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -70.24 -35.45 73.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -78.16 -25.49 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.538 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.0 m95 -111.99 30.73 6.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.92 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.547 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.216 -1.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.402 ' CE3' ' N ' ' A' ' 1' ' ' TRP . 2.8 m-90 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.423 0.63 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 65.7 p-90 -163.8 -38.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.882 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CH2' HD13 ' A' ' 4' ' ' LEU . 20.5 p-90 -73.25 -31.49 64.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.693 HD13 ' CH2' ' A' ' 3' ' ' TRP . 0.6 OUTLIER -59.13 -51.34 70.45 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.468 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -66.55 -36.54 82.92 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.226 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -66.58 -40.94 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -74.56 -25.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 24.7 m95 -111.96 31.87 5.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.984 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.564 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.37 -1.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.434 ' CE3' HD23 ' A' ' 4' ' ' LEU . 5.0 m-90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.461 0.648 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.3 p-90 -163.61 -39.89 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.681 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.737 ' CH2' HD13 ' A' ' 4' ' ' LEU . 30.1 p-90 -75.41 -23.78 57.07 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.737 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.3 tp -68.63 -51.16 45.28 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -70.45 -29.37 65.92 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.776 -179.518 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 1.9 pttp -71.86 -43.24 65.81 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.619 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.9 -24.97 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 22.3 m95 -113.0 29.52 7.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.9 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 120.396 -1.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.462 ' CE3' HD23 ' A' ' 4' ' ' LEU . 4.1 m-90 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.362 0.601 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.532 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.6 p-90 -153.08 -40.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.693 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.739 ' CH2' HD13 ' A' ' 4' ' ' LEU . 31.7 p-90 -74.91 -23.89 58.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.739 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.4 tp -69.43 -50.79 42.46 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 121.327 0.585 . . . . 0.0 109.579 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -69.35 -29.76 67.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.059 -0.657 . . . . 0.0 110.68 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -43.11 65.49 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.85 -25.38 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.1 m95 -112.75 29.84 7.63 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.885 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.551 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.311 -1.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.432 ' CE3' HD23 ' A' ' 4' ' ' LEU . 4.4 m-90 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.517 0.675 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 68.2 p-90 -163.07 -38.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.733 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.724 ' CH2' HD13 ' A' ' 4' ' ' LEU . 30.4 p-90 -76.57 -23.09 53.53 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.724 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.1 tp -68.82 -51.23 42.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -31.36 69.26 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.806 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 3.5 pttt -70.53 -43.75 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.36 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.59 -25.99 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.5 m95 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.991 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.443 ' CE3' ' N ' ' A' ' 1' ' ' TRP . 1.3 m-90 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.532 0.682 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 61.3 p-90 -158.82 -40.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.867 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.683 ' CZ3' HD13 ' A' ' 4' ' ' LEU . 18.4 p-90 -69.85 -30.7 68.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.683 HD13 ' CZ3' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -59.25 -50.51 73.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -69.4 -35.6 75.92 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.013 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -70.24 -35.45 73.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -78.16 -25.49 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.0 m95 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.92 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.402 ' CE3' ' N ' ' A' ' 1' ' ' TRP . 2.8 m-90 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.423 0.63 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 65.7 p-90 -163.8 -38.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.882 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CH2' HD13 ' A' ' 4' ' ' LEU . 20.5 p-90 -73.25 -31.49 64.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.693 HD13 ' CH2' ' A' ' 3' ' ' TRP . 0.6 OUTLIER -59.13 -51.34 70.45 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.468 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -36.54 82.92 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.226 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -66.58 -40.94 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -74.56 -25.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 24.7 m95 . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.984 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.434 ' CE3' HD23 ' A' ' 4' ' ' LEU . 5.0 m-90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.461 0.648 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.3 p-90 -163.61 -39.89 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.681 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.737 ' CH2' HD13 ' A' ' 4' ' ' LEU . 30.1 p-90 -75.41 -23.78 57.07 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.737 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.3 tp -68.63 -51.16 45.28 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -29.37 65.92 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.776 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 1.9 pttp -71.86 -43.24 65.81 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.619 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.9 -24.97 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 22.3 m95 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.9 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.462 ' CE3' HD23 ' A' ' 4' ' ' LEU . 4.1 m-90 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.362 0.601 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.532 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.6 p-90 -153.08 -40.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.693 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.739 ' CH2' HD13 ' A' ' 4' ' ' LEU . 31.7 p-90 -74.91 -23.89 58.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.739 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.4 tp -69.43 -50.79 42.46 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 121.327 0.585 . . . . 0.0 109.579 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -69.35 -29.76 67.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.059 -0.657 . . . . 0.0 110.68 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -43.11 65.49 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.85 -25.38 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.1 m95 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.885 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.432 ' CE3' HD23 ' A' ' 4' ' ' LEU . 4.4 m-90 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.517 0.675 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.496 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 68.2 p-90 -163.07 -38.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.733 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.724 ' CH2' HD13 ' A' ' 4' ' ' LEU . 30.4 p-90 -76.57 -23.09 53.53 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.724 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.1 tp -68.82 -51.23 42.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.1 OUTLIER -69.78 -31.36 69.26 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.806 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 3.5 pttt -70.53 -43.75 68.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.36 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.59 -25.99 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.5 m95 -111.66 30.24 7.15 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.991 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.443 ' CE3' ' N ' ' A' ' 1' ' ' TRP . 1.3 m-90 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.532 0.682 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 61.3 p-90 -158.82 -40.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.867 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.683 ' CZ3' HD13 ' A' ' 4' ' ' LEU . 18.4 p-90 -69.85 -30.7 68.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.683 HD13 ' CZ3' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -59.25 -50.51 73.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.1 OUTLIER -69.4 -35.6 75.92 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.013 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -70.24 -35.45 73.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -78.16 -25.49 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 177.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.0 m95 -111.99 30.73 6.78 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.92 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.547 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.216 -1.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.402 ' CE3' ' N ' ' A' ' 1' ' ' TRP . 2.8 m-90 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.423 0.63 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.549 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 65.7 p-90 -163.8 -38.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.882 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CH2' HD13 ' A' ' 4' ' ' LEU . 20.5 p-90 -73.25 -31.49 64.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.693 HD13 ' CH2' ' A' ' 3' ' ' TRP . 0.6 OUTLIER -59.13 -51.34 70.45 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.468 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -66.55 -36.54 82.92 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.226 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -66.58 -40.94 89.17 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -74.56 -25.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.638 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 24.7 m95 -111.96 31.87 5.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.984 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.564 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.37 -1.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.434 ' CE3' HD23 ' A' ' 4' ' ' LEU . 5.0 m-90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.461 0.648 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.52 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.3 p-90 -163.61 -39.89 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.681 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.737 ' CH2' HD13 ' A' ' 4' ' ' LEU . 30.1 p-90 -75.41 -23.78 57.07 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.737 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.3 tp -68.63 -51.16 45.28 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.093 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -70.45 -29.37 65.92 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.776 -179.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 7' ' ' ILE . 1.9 pttp -71.86 -43.24 65.81 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.619 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.9 -24.97 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 22.3 m95 -113.0 29.52 7.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.9 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 120.396 -1.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.462 ' CE3' HD23 ' A' ' 4' ' ' LEU . 4.1 m-90 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.362 0.601 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.532 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 69.6 p-90 -153.08 -40.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.693 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.739 ' CH2' HD13 ' A' ' 4' ' ' LEU . 31.7 p-90 -74.91 -23.89 58.43 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.739 HD13 ' CH2' ' A' ' 3' ' ' TRP . 1.4 tp -69.43 -50.79 42.46 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 121.327 0.585 . . . . 0.0 109.579 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -69.35 -29.76 67.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.059 -0.657 . . . . 0.0 110.68 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -43.11 65.49 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.615 HG23 ' CD2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -69.85 -25.38 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 23.1 m95 -112.75 29.84 7.63 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.885 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.551 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.311 -1.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_