data_6ctg_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 6ctg _Structure_validation_residue.Date_analyzed 2019-03-22 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 ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.282 0.563 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -48.22 -40.92 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.617 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.446 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.3 mp0 -79.19 -32.24 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.078 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.96 -46.19 58.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ARG . 16.5 tt -58.65 -43.57 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 2.7 m -53.11 -37.72 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.22 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -74.57 -52.45 11.77 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.712 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.83 -27.91 69.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.963 0.411 . . . . 0.0 110.779 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.9 tpm_? . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.892 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.425 HH21 ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -45.9 51.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.607 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.3 mp0 -76.96 -35.9 56.89 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.47 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.0 mt -55.81 -48.17 75.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 pt -64.65 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.603 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.34 -41.22 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.812 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.68 -31.74 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.14 -37.1 66.75 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.704 179.659 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -78.91 -35.86 42.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 1.3 mp0 -55.76 -55.37 33.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.514 HD11 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.93 -45.45 74.8 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.563 -178.013 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.3 pt -73.45 -47.42 45.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.035 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -73.56 -37.52 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 9' ' ' GLN . 8.0 p-80 -55.75 -49.61 72.62 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.289 -0.564 . . . . 0.0 112.436 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.65 ' CG ' ' CE1' ' A' ' 8' ' ' HIS . 1.9 mt-30 -75.66 -40.23 56.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.767 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 mpt_? . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.458 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.461 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 5.3 mtm180 . . . . . 0 C--O 1.228 -0.054 0 CA-C-O 121.243 0.544 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -82.94 -31.19 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.094 -179.584 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -46.39 -62.98 1.12 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.49 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -56.38 -41.25 75.93 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.033 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.521 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 16.0 mm -62.78 -51.92 66.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.457 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 3' ' ' SER . 5.4 t -75.55 -37.82 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -53.71 -55.0 29.98 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 4.4 mt-30 -73.76 -33.4 64.27 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.51 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.62 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -31.97 68.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.32 -23.18 38.0 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.242 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.528 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 14.7 mt -67.86 -37.0 81.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.951 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 pt -71.22 -45.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.224 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -33.97 56.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 7.3 p-80 -68.49 -53.04 25.86 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.797 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 2.7 pt20 -70.17 -35.33 73.92 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.498 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 . . . . . 0 C--N 1.317 -0.819 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.565 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 . . . . . 0 C--O 1.23 0.053 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.3 -44.21 22.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.1 pm0 -56.02 -46.89 78.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.81 -48.01 76.15 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.6 -178.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.36 -47.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.818 -178.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 4' ' ' GLU . 34.3 m -71.68 -43.72 70.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -76.98 -40.55 46.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -27.69 63.0 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.574 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.353 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.367 0.604 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.35 -47.89 36.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.625 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.2 pm0 -67.81 -43.14 80.34 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.219 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -48.63 78.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.218 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 pt -62.76 -44.6 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.97 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -59.08 -41.52 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -48.22 75.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -59.79 -37.81 80.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.18 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -54.35 -24.88 21.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.708 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 70.8 mm-40 -80.76 -59.24 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.583 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 1.2 mp -54.15 -46.87 72.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.898 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 3' ' ' SER . 6.3 pt -57.08 -42.97 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.349 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.5 -39.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 41.7 m170 -54.88 -52.96 61.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.725 0.297 . . . . 0.0 110.805 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.52 -25.99 67.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.558 0.218 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -48.44 -34.79 11.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.574 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 1.6 mp0 -85.0 -32.81 22.75 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.521 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.08 -48.19 53.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -70.49 -33.16 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -176.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 m -52.42 -29.97 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 49.7 m-70 -82.99 -53.22 5.99 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.551 ' OE1' ' NH2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.505 -178.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.551 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.38 0.609 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -41.57 40.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.552 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.05 -57.34 11.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 0.0 109.771 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.667 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 2.1 mp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.837 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.1 mt -60.46 -47.06 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.09 -37.6 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -45.36 91.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.69 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.79 -39.51 64.09 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.319 -0.743 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.507 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -72.29 -28.49 63.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.282 0.563 . . . . 0.0 109.914 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -48.22 -40.92 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.617 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.446 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.3 mp0 -79.19 -32.24 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.078 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 1' ' ' SER . 5.8 mt -71.96 -46.19 58.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.221 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ARG . 16.5 tt -58.65 -43.57 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 2.7 m -53.11 -37.72 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.22 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -74.57 -52.45 11.77 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.712 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.83 -27.91 69.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.963 0.411 . . . . 0.0 110.779 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.9 tpm_? -72.14 -49.5 35.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.479 ' HG ' ' CD ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.425 HH21 ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -57.75 -30.36 65.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 -179.172 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -45.9 51.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.607 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' CD ' ' HG ' ' A' ' 1' ' ' SER . 2.3 mp0 -76.96 -35.9 56.89 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.47 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.0 mt -55.81 -48.17 75.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 pt -64.65 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.603 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.34 -41.22 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.812 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.68 -31.74 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.14 -37.1 66.75 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -71.97 -56.13 6.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.704 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -56.14 -29.46 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.36 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -78.91 -35.86 42.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 1.3 mp0 -55.76 -55.37 33.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.514 HD11 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.93 -45.45 74.8 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.563 -178.013 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.3 pt -73.45 -47.42 45.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.035 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 3.3 p -73.56 -37.52 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 9' ' ' GLN . 8.0 p-80 -55.75 -49.61 72.62 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.289 -0.564 . . . . 0.0 112.436 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.65 ' CG ' ' CE1' ' A' ' 8' ' ' HIS . 1.9 mt-30 -75.66 -40.23 56.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.767 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 mpt_? -72.2 -37.67 69.2 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.458 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' VAL . . . . . . . . 0 C--N 1.297 -1.687 0 O-C-N 119.595 -1.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.461 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 5.3 mtm180 -72.08 -50.07 31.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.243 0.544 . . . . 0.0 110.287 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -82.94 -31.19 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.094 -179.584 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -46.39 -62.98 1.12 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.49 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -56.38 -41.25 75.93 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.033 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.521 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 16.0 mm -62.78 -51.92 66.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.457 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 3' ' ' SER . 5.4 t -75.55 -37.82 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -53.71 -55.0 29.98 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 4.4 mt-30 -73.76 -33.4 64.27 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.51 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -69.35 -44.21 72.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.62 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.42 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.527 ' HG ' ' CD ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -35.65 77.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.963 0.411 . . . . 0.0 111.146 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -31.97 68.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.527 ' CD ' ' HG ' ' A' ' 1' ' ' SER . 2.7 mp0 -81.32 -23.18 38.0 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.242 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 14.7 mt -67.86 -37.0 81.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.951 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 pt -71.22 -45.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.224 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -33.97 56.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 7.3 p-80 -68.49 -53.04 25.86 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.797 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 2.7 pt20 -70.17 -35.33 73.92 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.498 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -72.96 165.67 24.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -70.48 -29.51 66.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.935 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.3 -44.21 22.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.1 pm0 -56.02 -46.89 78.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.81 -48.01 76.15 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.6 -178.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.36 -47.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.818 -178.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 4' ' ' GLU . 34.3 m -71.68 -43.72 70.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -76.98 -40.55 46.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -27.69 63.0 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.574 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.23 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.353 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.549 ' H3 ' ' CD ' ' A' ' 4' ' ' GLU . 19.4 t . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.69 -28.27 63.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.367 0.604 . . . . 0.0 109.432 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.35 -47.89 36.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.625 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.549 ' CD ' ' H3 ' ' A' ' 1' ' ' SER . 2.2 pm0 -67.81 -43.14 80.34 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.219 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -48.63 78.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.218 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 pt -62.76 -44.6 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.97 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -59.08 -41.52 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -48.22 75.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -59.79 -37.81 80.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.18 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -16.48 25.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.589 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.562 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -55.65 -37.99 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -54.35 -24.88 21.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.708 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 70.8 mm-40 -80.76 -59.24 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.583 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 1.2 mp -54.15 -46.87 72.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.898 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 3' ' ' SER . 6.3 pt -57.08 -42.97 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.349 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.5 -39.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 41.7 m170 -54.88 -52.96 61.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.725 0.297 . . . . 0.0 110.805 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.52 -25.99 67.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -72.2 -4.11 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.518 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.491 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -32.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.462 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -48.44 -34.79 11.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.574 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 1' ' ' SER . 1.6 mp0 -85.0 -32.81 22.75 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.521 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.08 -48.19 53.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -70.49 -33.16 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -176.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 m -52.42 -29.97 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 49.7 m-70 -82.99 -53.22 5.99 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.551 ' OE1' ' NH2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.505 -178.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -73.1 -50.7 21.36 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.643 0 O-C-N 120.178 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.52 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -30.64 65.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.38 0.609 . . . . 0.0 110.253 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -41.57 40.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.552 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.05 -57.34 11.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 0.0 109.771 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.667 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 2.1 mp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.837 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.1 mt -60.46 -47.06 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.09 -37.6 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -45.36 91.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.69 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.79 -39.51 64.09 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -70.43 -47.69 59.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.551 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.282 0.563 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -48.22 -40.92 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.617 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.446 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.3 mp0 -79.19 -32.24 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.078 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.96 -46.19 58.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ARG . 16.5 tt -58.65 -43.57 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 2.7 m -53.11 -37.72 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.22 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -74.57 -52.45 11.77 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.712 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.83 -27.91 69.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.963 0.411 . . . . 0.0 110.779 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.9 tpm_? . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.892 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.443 HH21 ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -45.9 51.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.607 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.3 mp0 -76.96 -35.9 56.89 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.47 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 5' ' ' LEU . 4.0 mt -55.81 -48.17 75.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 6' ' ' ILE . 3.9 pt -64.65 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.603 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.34 -41.22 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.812 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.68 -31.74 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.14 -37.1 66.75 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 HH21 ' HD3' ' A' ' 10' ' ' ARG . 3.2 mmt180 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.704 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.566 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.4 p -78.91 -35.86 42.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' ' 7' ' ' VAL . 1.3 mp0 -55.76 -55.37 33.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.93 -45.45 74.8 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.563 -178.013 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.3 pt -73.45 -47.42 45.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.035 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 3' ' ' SER . 3.3 p -73.56 -37.52 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 9' ' ' GLN . 8.0 p-80 -55.75 -49.61 72.62 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.289 -0.564 . . . . 0.0 112.436 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.65 ' CG ' ' CE1' ' A' ' 8' ' ' HIS . 1.9 mt-30 -75.66 -40.23 56.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.767 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 mpt_? . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.458 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.461 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 5.3 mtm180 . . . . . 0 C--O 1.228 -0.054 0 CA-C-O 121.243 0.544 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -82.94 -31.19 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.094 -179.584 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -46.39 -62.98 1.12 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.577 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -56.38 -41.25 75.93 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.033 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.521 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 16.0 mm -62.78 -51.92 66.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.457 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 3' ' ' SER . 5.4 t -75.55 -37.82 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -53.71 -55.0 29.98 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 4.4 mt-30 -73.76 -33.4 64.27 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.51 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.62 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.33 -31.97 68.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.271 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.32 -23.18 38.0 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.242 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 14.7 mt -67.86 -37.0 81.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.951 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 3' ' ' SER . 4.7 pt -71.22 -45.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.224 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -70.23 -33.97 56.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 7.3 p-80 -68.49 -53.04 25.86 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.797 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 2.7 pt20 -70.17 -35.33 73.92 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.498 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 2.7 tpt180 . . . . . 0 C--N 1.317 -0.819 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 . . . . . 0 C--O 1.23 0.053 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.694 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -79.3 -44.21 22.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.675 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.1 pm0 -56.02 -46.89 78.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.81 -48.01 76.15 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.6 -178.09 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -66.36 -47.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.818 -178.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 3' ' ' SER . 34.3 m -71.68 -43.72 70.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 7' ' ' VAL . 10.2 m-70 -76.98 -40.55 46.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -27.69 63.0 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.574 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.353 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.367 0.604 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -48.35 -47.89 36.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.625 -178.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.2 pm0 -67.81 -43.14 80.34 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.219 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -57.52 -48.63 78.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.218 -179.006 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 3' ' ' SER . 8.3 pt -62.76 -44.6 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.97 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 3' ' ' SER . 86.7 t -59.08 -41.52 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -48.22 75.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -59.79 -37.81 80.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.18 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -54.35 -24.88 21.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.708 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 70.8 mm-40 -80.76 -59.24 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.583 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.664 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.2 mp -54.15 -46.87 72.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.898 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 3' ' ' SER . 6.3 pt -57.08 -42.97 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.349 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.5 -39.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 41.7 m170 -54.88 -52.96 61.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.725 0.297 . . . . 0.0 110.805 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.52 -25.99 67.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.558 0.218 . . . . 0.0 111.462 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 7' ' ' VAL . 3.5 m -48.44 -34.79 11.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.574 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 1.6 mp0 -85.0 -32.81 22.75 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.521 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 2.3 mt -71.08 -48.19 53.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -70.49 -33.16 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -176.282 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.499 ' H ' HD13 ' A' ' 6' ' ' ILE . 5.0 m -52.42 -29.97 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 49.7 m-70 -82.99 -53.22 5.99 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.551 ' OE1' ' NH2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.505 -178.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.551 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.522 ' HA ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.38 0.609 . . . . 0.0 110.253 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -49.45 -41.57 40.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.552 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 1.9 mp0 -62.05 -57.34 11.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 0.0 109.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.033 ' H ' HD12 ' A' ' 5' ' ' LEU . 2.1 mp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.837 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 6' ' ' ILE . 30.1 mt -60.46 -47.06 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 3' ' ' SER . 78.9 t -64.09 -37.6 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -45.36 91.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.69 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.79 -39.51 64.09 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.319 -0.743 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.507 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -72.29 -28.49 63.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.282 0.563 . . . . 0.0 109.914 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -48.22 -40.92 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.617 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.446 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.3 mp0 -79.19 -32.24 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.078 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 1' ' ' SER . 5.8 mt -71.96 -46.19 58.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.221 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ARG . 16.5 tt -58.65 -43.57 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 2.7 m -53.11 -37.72 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.22 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -74.57 -52.45 11.77 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.712 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.83 -27.91 69.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.963 0.411 . . . . 0.0 110.779 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.9 tpm_? -72.14 -49.5 35.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.452 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.443 HH21 ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -57.75 -30.36 65.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 -179.172 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -45.9 51.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.607 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.3 mp0 -76.96 -35.9 56.89 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.47 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 5' ' ' LEU . 4.0 mt -55.81 -48.17 75.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 6' ' ' ILE . 3.9 pt -64.65 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.603 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.34 -41.22 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.812 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.68 -31.74 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.14 -37.1 66.75 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 HH21 ' HD3' ' A' ' 10' ' ' ARG . 3.2 mmt180 -71.97 -56.13 6.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.704 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.416 ' O ' HD11 ' A' ' 5' ' ' LEU . 1.1 m . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -56.14 -29.46 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.36 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.566 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.4 p -78.91 -35.86 42.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' ' 7' ' ' VAL . 1.3 mp0 -55.76 -55.37 33.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.93 -45.45 74.8 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.563 -178.013 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.3 pt -73.45 -47.42 45.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.035 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 3' ' ' SER . 3.3 p -73.56 -37.52 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 9' ' ' GLN . 8.0 p-80 -55.75 -49.61 72.62 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.289 -0.564 . . . . 0.0 112.436 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.65 ' CG ' ' CE1' ' A' ' 8' ' ' HIS . 1.9 mt-30 -75.66 -40.23 56.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.767 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 mpt_? -72.2 -37.67 69.2 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.458 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' VAL . . . . . . . . 0 C--N 1.297 -1.687 0 O-C-N 119.595 -1.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.613 ' O ' HD11 ' A' ' 5' ' ' LEU . 50.0 m . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.461 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 5.3 mtm180 -72.08 -50.07 31.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.243 0.544 . . . . 0.0 110.287 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -82.94 -31.19 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.094 -179.584 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -46.39 -62.98 1.12 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -56.38 -41.25 75.93 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.033 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.521 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 16.0 mm -62.78 -51.92 66.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.457 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 3' ' ' SER . 5.4 t -75.55 -37.82 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -53.71 -55.0 29.98 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 4.4 mt-30 -73.76 -33.4 64.27 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.51 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -69.35 -44.21 72.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.62 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.42 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.434 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -35.65 77.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.963 0.411 . . . . 0.0 111.146 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.33 -31.97 68.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.271 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.7 mp0 -81.32 -23.18 38.0 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.242 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 14.7 mt -67.86 -37.0 81.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.951 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 3' ' ' SER . 4.7 pt -71.22 -45.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.224 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -70.23 -33.97 56.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 7.3 p-80 -68.49 -53.04 25.86 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.797 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 2.7 pt20 -70.17 -35.33 73.92 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.498 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 2.7 tpt180 -72.96 165.67 24.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.501 ' O ' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -70.48 -29.51 66.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.935 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.694 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -79.3 -44.21 22.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.675 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.1 pm0 -56.02 -46.89 78.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.81 -48.01 76.15 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.6 -178.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -66.36 -47.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.818 -178.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 3' ' ' SER . 34.3 m -71.68 -43.72 70.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 7' ' ' VAL . 10.2 m-70 -76.98 -40.55 46.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -27.69 63.0 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.574 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.23 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.353 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 19.4 t . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.69 -28.27 63.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.367 0.604 . . . . 0.0 109.432 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -48.35 -47.89 36.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.625 -178.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.2 pm0 -67.81 -43.14 80.34 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.219 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -57.52 -48.63 78.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.218 -179.006 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 3' ' ' SER . 8.3 pt -62.76 -44.6 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.97 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 3' ' ' SER . 86.7 t -59.08 -41.52 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -48.22 75.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -59.79 -37.81 80.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.18 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -16.48 25.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.589 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.562 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.493 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -55.65 -37.99 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -54.35 -24.88 21.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.708 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 70.8 mm-40 -80.76 -59.24 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.583 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.664 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.2 mp -54.15 -46.87 72.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.898 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 3' ' ' SER . 6.3 pt -57.08 -42.97 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.349 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.5 -39.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 41.7 m170 -54.88 -52.96 61.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.725 0.297 . . . . 0.0 110.805 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.52 -25.99 67.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -72.2 -4.11 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.518 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.491 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -66.24 -32.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.462 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 7' ' ' VAL . 3.5 m -48.44 -34.79 11.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.574 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 1' ' ' SER . 1.6 mp0 -85.0 -32.81 22.75 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.521 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 2.3 mt -71.08 -48.19 53.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -70.49 -33.16 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -176.282 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.499 ' H ' HD13 ' A' ' 6' ' ' ILE . 5.0 m -52.42 -29.97 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 49.7 m-70 -82.99 -53.22 5.99 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.551 ' OE1' ' NH2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.505 -178.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -73.1 -50.7 21.36 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.643 0 O-C-N 120.178 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.52 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.522 ' HA ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -71.73 -30.64 65.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.38 0.609 . . . . 0.0 110.253 179.474 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -49.45 -41.57 40.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.552 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 1.9 mp0 -62.05 -57.34 11.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 0.0 109.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.033 ' H ' HD12 ' A' ' 5' ' ' LEU . 2.1 mp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.837 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 6' ' ' ILE . 30.1 mt -60.46 -47.06 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 3' ' ' SER . 78.9 t -64.09 -37.6 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -45.36 91.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.69 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.79 -39.51 64.09 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -70.43 -47.69 59.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' VAL . . . . . . . . 0 C--N 1.3 -1.551 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 121.282 0.563 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -48.22 -40.92 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.617 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.446 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.3 mp0 -79.19 -32.24 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.078 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.96 -46.19 58.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.221 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ARG . 16.5 tt -58.65 -43.57 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 2.7 m -53.11 -37.72 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.22 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -74.57 -52.45 11.77 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.712 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.83 -27.91 69.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.963 0.411 . . . . 0.0 110.779 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.9 tpm_? . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.892 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.443 HH21 ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -45.9 51.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.607 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.3 mp0 -76.96 -35.9 56.89 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.47 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 5' ' ' LEU . 4.0 mt -55.81 -48.17 75.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 6' ' ' ILE . 3.9 pt -64.65 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.603 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.34 -41.22 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.812 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.68 -31.74 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.14 -37.1 66.75 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 HH21 ' HD3' ' A' ' 10' ' ' ARG . 3.2 mmt180 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.704 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 N--CA 1.463 0.206 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.566 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.4 p -78.91 -35.86 42.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' ' 7' ' ' VAL . 1.3 mp0 -55.76 -55.37 33.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.93 -45.45 74.8 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.563 -178.013 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.3 pt -73.45 -47.42 45.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.035 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 3' ' ' SER . 3.3 p -73.56 -37.52 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 9' ' ' GLN . 8.0 p-80 -55.75 -49.61 72.62 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.289 -0.564 . . . . 0.0 112.436 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.65 ' CG ' ' CE1' ' A' ' 8' ' ' HIS . 1.9 mt-30 -75.66 -40.23 56.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.767 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 mpt_? . . . . . 0 C--N 1.316 -0.886 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.458 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.461 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 5.3 mtm180 . . . . . 0 C--O 1.228 -0.054 0 CA-C-O 121.243 0.544 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -82.94 -31.19 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.094 -179.584 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -46.39 -62.98 1.12 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.577 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -56.38 -41.25 75.93 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.033 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.521 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 16.0 mm -62.78 -51.92 66.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.457 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 3' ' ' SER . 5.4 t -75.55 -37.82 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -53.71 -55.0 29.98 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 4.4 mt-30 -73.76 -33.4 64.27 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.51 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.62 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.33 -31.97 68.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.271 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.32 -23.18 38.0 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.242 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 14.7 mt -67.86 -37.0 81.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.951 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 3' ' ' SER . 4.7 pt -71.22 -45.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.224 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -70.23 -33.97 56.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 7.3 p-80 -68.49 -53.04 25.86 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.797 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 2.7 pt20 -70.17 -35.33 73.92 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.498 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 2.7 tpt180 . . . . . 0 C--N 1.317 -0.819 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 . . . . . 0 C--O 1.23 0.053 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.694 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -79.3 -44.21 22.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.675 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.1 pm0 -56.02 -46.89 78.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.81 -48.01 76.15 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.6 -178.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -66.36 -47.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.818 -178.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 3' ' ' SER . 34.3 m -71.68 -43.72 70.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 7' ' ' VAL . 10.2 m-70 -76.98 -40.55 46.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -27.69 63.0 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.574 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.353 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.367 0.604 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -48.35 -47.89 36.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.625 -178.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.2 pm0 -67.81 -43.14 80.34 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.219 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -57.52 -48.63 78.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.218 -179.006 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 3' ' ' SER . 8.3 pt -62.76 -44.6 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.97 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 3' ' ' SER . 86.7 t -59.08 -41.52 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -48.22 75.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -59.79 -37.81 80.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.18 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.589 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -54.35 -24.88 21.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.708 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 70.8 mm-40 -80.76 -59.24 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.583 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.664 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.2 mp -54.15 -46.87 72.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.898 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 3' ' ' SER . 6.3 pt -57.08 -42.97 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.349 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.5 -39.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 41.7 m170 -54.88 -52.96 61.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.725 0.297 . . . . 0.0 110.805 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.52 -25.99 67.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.558 0.218 . . . . 0.0 111.462 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 7' ' ' VAL . 3.5 m -48.44 -34.79 11.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.574 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 1.6 mp0 -85.0 -32.81 22.75 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.521 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 2.3 mt -71.08 -48.19 53.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -70.49 -33.16 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -176.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.499 ' H ' HD13 ' A' ' 6' ' ' ILE . 5.0 m -52.42 -29.97 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 49.7 m-70 -82.99 -53.22 5.99 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.551 ' OE1' ' NH2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.505 -178.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.551 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.522 ' HA ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.38 0.609 . . . . 0.0 110.253 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -49.45 -41.57 40.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.552 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 1.9 mp0 -62.05 -57.34 11.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 0.0 109.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.033 ' H ' HD12 ' A' ' 5' ' ' LEU . 2.1 mp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.837 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 6' ' ' ILE . 30.1 mt -60.46 -47.06 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 3' ' ' SER . 78.9 t -64.09 -37.6 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -45.36 91.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.69 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.79 -39.51 64.09 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.319 -0.743 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.507 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -72.29 -28.49 63.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.282 0.563 . . . . 0.0 109.914 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -48.22 -40.92 25.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.617 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.446 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.3 mp0 -79.19 -32.24 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.078 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 1' ' ' SER . 5.8 mt -71.96 -46.19 58.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.221 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ARG . 16.5 tt -58.65 -43.57 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 2.7 m -53.11 -37.72 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.22 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -74.57 -52.45 11.77 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.712 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.83 -27.91 69.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.963 0.411 . . . . 0.0 110.779 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.9 tpm_? -72.14 -49.5 35.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.452 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.443 HH21 ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -57.75 -30.36 65.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 -179.172 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -45.9 51.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.607 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.3 mp0 -76.96 -35.9 56.89 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.47 -178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 5' ' ' LEU . 4.0 mt -55.81 -48.17 75.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 6' ' ' ILE . 3.9 pt -64.65 -41.53 92.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.603 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -62.34 -41.22 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.812 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -55.68 -31.74 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.078 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.14 -37.1 66.75 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 HH21 ' HD3' ' A' ' 10' ' ' ARG . 3.2 mmt180 -71.97 -56.13 6.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.948 -1.023 . . . . 0.0 109.704 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.416 ' O ' HD11 ' A' ' 5' ' ' LEU . 1.1 m . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -56.14 -29.46 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.36 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.566 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.4 p -78.91 -35.86 42.84 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' ' 7' ' ' VAL . 1.3 mp0 -55.76 -55.37 33.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.93 -45.45 74.8 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.563 -178.013 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.3 pt -73.45 -47.42 45.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.035 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 3' ' ' SER . 3.3 p -73.56 -37.52 50.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 9' ' ' GLN . 8.0 p-80 -55.75 -49.61 72.62 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.289 -0.564 . . . . 0.0 112.436 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.65 ' CG ' ' CE1' ' A' ' 8' ' ' HIS . 1.9 mt-30 -75.66 -40.23 56.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 119.579 -0.848 . . . . 0.0 110.767 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 mpt_? -72.2 -37.67 69.2 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.458 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' VAL . . . . . . . . 0 C--N 1.297 -1.687 0 O-C-N 119.595 -1.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.613 ' O ' HD11 ' A' ' 5' ' ' LEU . 50.0 m . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.461 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 5.3 mtm180 -72.08 -50.07 31.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.243 0.544 . . . . 0.0 110.287 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -82.94 -31.19 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.094 -179.584 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -46.39 -62.98 1.12 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -56.38 -41.25 75.93 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.033 -178.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.521 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 16.0 mm -62.78 -51.92 66.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.457 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 3' ' ' SER . 5.4 t -75.55 -37.82 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -53.71 -55.0 29.98 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 4.4 mt-30 -73.76 -33.4 64.27 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.51 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -69.35 -44.21 72.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.62 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.42 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.434 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -35.65 77.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.963 0.411 . . . . 0.0 111.146 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.33 -31.97 68.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.271 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.7 mp0 -81.32 -23.18 38.0 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.242 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 14.7 mt -67.86 -37.0 81.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.951 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 3' ' ' SER . 4.7 pt -71.22 -45.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.224 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -70.23 -33.97 56.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -177.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 7.3 p-80 -68.49 -53.04 25.86 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.931 -0.708 . . . . 0.0 112.797 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 2.7 pt20 -70.17 -35.33 73.92 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.498 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 2.7 tpt180 -72.96 165.67 24.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.501 ' O ' HD21 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -70.48 -29.51 66.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.935 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.694 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -79.3 -44.21 22.1 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.675 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.1 pm0 -56.02 -46.89 78.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.81 -48.01 76.15 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.6 -178.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -66.36 -47.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.818 -178.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 3' ' ' SER . 34.3 m -71.68 -43.72 70.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' N ' HG23 ' A' ' 7' ' ' VAL . 10.2 m-70 -76.98 -40.55 46.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 -27.69 63.0 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.574 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.23 62.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.353 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 19.4 t . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.69 -28.27 63.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.367 0.604 . . . . 0.0 109.432 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.618 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -48.35 -47.89 36.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.625 -178.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.2 pm0 -67.81 -43.14 80.34 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.219 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -57.52 -48.63 78.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.218 -179.006 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 3' ' ' SER . 8.3 pt -62.76 -44.6 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.97 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 3' ' ' SER . 86.7 t -59.08 -41.52 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -48.22 75.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -59.79 -37.81 80.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.18 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -16.48 25.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.589 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.562 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.493 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -55.65 -37.99 68.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -54.35 -24.88 21.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.708 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 70.8 mm-40 -80.76 -59.24 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.583 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.664 ' H ' HD12 ' A' ' 5' ' ' LEU . 1.2 mp -54.15 -46.87 72.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.898 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 3' ' ' SER . 6.3 pt -57.08 -42.97 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.349 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -70.5 -39.44 76.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.347 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 41.7 m170 -54.88 -52.96 61.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.725 0.297 . . . . 0.0 110.805 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -61.52 -25.99 67.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.009 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -72.2 -4.11 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.378 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.518 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.491 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -66.24 -32.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.462 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 7' ' ' VAL . 3.5 m -48.44 -34.79 11.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.574 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 1' ' ' SER . 1.6 mp0 -85.0 -32.81 22.75 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.521 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 2.3 mt -71.08 -48.19 53.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' ARG . 0.2 OUTLIER -70.49 -33.16 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -176.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.499 ' H ' HD13 ' A' ' 6' ' ' ILE . 5.0 m -52.42 -29.97 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 49.7 m-70 -82.99 -53.22 5.99 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.551 ' OE1' ' NH2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -68.8 -39.04 80.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.505 -178.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' NH2' ' OE1' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -73.1 -50.7 21.36 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.643 0 O-C-N 120.178 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.52 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.522 ' HA ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -71.73 -30.64 65.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.38 0.609 . . . . 0.0 110.253 179.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -49.45 -41.57 40.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.552 -178.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 1.9 mp0 -62.05 -57.34 11.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 0.0 109.771 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.033 ' H ' HD12 ' A' ' 5' ' ' LEU . 2.1 mp -58.26 -44.4 88.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.837 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 6' ' ' ILE . 30.1 mt -60.46 -47.06 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 3' ' ' SER . 78.9 t -64.09 -37.6 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -45.36 91.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.69 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.79 -39.51 64.09 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.223 0.535 . . . . 0.0 110.33 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -70.43 -47.69 59.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' VAL . . . . . . . . 0 C--N 1.3 -1.551 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_