data_6mk8_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 6mk8 _Structure_validation_residue.Date_analyzed 2019-06-14 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 ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.64 -44.16 72.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.67 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HG ' ' H ' ' A' ' 6' ' ' LEU . 2.3 pp -58.5 -39.64 80.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.232 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 9.0 mt -60.2 -39.72 87.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 m -52.19 -45.12 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.26 -28.31 61.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.472 . . . . 0.0 109.87 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.62 -40.72 88.41 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.1 -24.99 55.02 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.798 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -67.24 -28.41 68.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.003 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.99 -56.27 23.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.25 -40.49 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -40.59 76.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.89 -35.49 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -52.08 -45.84 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -73.33 -28.93 62.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -47.54 83.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -64.1 -38.82 92.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.4 . . . . 0.0 109.965 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.641 ' HZ1' ' C ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.66 -31.79 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.172 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HZ1' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -81.15 -19.0 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.674 -179.642 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.8 mp -66.04 -33.0 74.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 8.0 mp -59.21 -44.31 92.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.68 -28.33 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -51.76 -35.89 45.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pp -72.26 -27.83 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.35 90.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.71 -23.76 60.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.739 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.545 ' NZ ' ' O ' ' A' ' 11' ' ' LYS . 10.2 tptp -62.86 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.55 -56.48 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 179.768 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 50.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.524 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 8.1 mp -75.43 -23.73 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.647 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.5 -34.09 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' SER . 2.3 pp -73.72 -28.36 61.67 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.352 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 t -60.91 -54.19 48.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.364 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.493 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -29.88 72.89 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.24 -56.26 23.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.112 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.645 ' HZ2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -51.2 -26.79 7.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.272 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.645 ' N ' ' HZ2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -60.55 -49.8 76.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.865 0.364 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.46 -44.24 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.258 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.6 mm? -68.9 -43.25 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -28.85 24.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.521 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -54.07 -44.21 70.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.93 -27.97 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.359 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.08 -50.04 71.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.02 -19.27 60.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.705 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -28.31 65.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.56 -56.5 3.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.058 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.718 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' CD2' ' H ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -69.26 -18.43 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.408 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -71.84 -29.39 64.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.64 -44.16 72.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.67 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HG ' ' H ' ' A' ' 6' ' ' LEU . 2.3 pp -58.5 -39.64 80.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.232 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 9.0 mt -60.2 -39.72 87.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 m -52.19 -45.12 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.26 -28.31 61.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.472 . . . . 0.0 109.87 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.62 -40.72 88.41 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.1 -24.99 55.02 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.798 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -67.24 -28.41 68.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.003 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.99 -56.27 23.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.36 31.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' H3 ' ' H ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' H ' ' H3 ' ' A' ' 1' ' ' GLY . 2.3 pp -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 110.587 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -56.37 -44.3 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.25 -40.49 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -40.59 76.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.89 -35.49 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -52.08 -45.84 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -73.33 -28.93 62.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -47.54 83.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -64.1 -38.82 92.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.4 . . . . 0.0 109.965 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.641 ' HZ1' ' C ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.66 -31.79 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.172 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HZ1' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -81.15 -19.0 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -116.1 -80.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.674 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.013 -1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' CD2' ' H ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -69.13 -14.04 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.35 66.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.8 mp -66.04 -33.0 74.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 8.0 mp -59.21 -44.31 92.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.68 -28.33 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -51.76 -35.89 45.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pp -72.26 -27.83 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.35 90.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.71 -23.76 60.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.739 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' NZ ' ' O ' ' A' ' 11' ' ' LYS . 10.2 tptp -62.86 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.55 -56.48 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt -148.14 -42.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.96 -14.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 1' ' ' GLY . 50.4 p -69.0 -33.71 74.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 8.1 mp -75.43 -23.73 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.647 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.5 -34.09 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' SER . 2.3 pp -73.72 -28.36 61.67 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.352 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 t -60.91 -54.19 48.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.364 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.493 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -29.88 72.89 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.24 -56.26 23.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.112 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.645 ' HZ2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -51.2 -26.79 7.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.272 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.645 ' N ' ' HZ2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -60.55 -49.8 76.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.37 -57.99 2.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.53 -17.42 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -60.63 -37.88 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.46 -44.24 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.258 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.6 mm? -68.9 -43.25 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -28.85 24.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.521 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -54.07 -44.21 70.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.93 -27.97 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.359 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.08 -50.04 71.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 1.8 pp -74.02 -19.27 60.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.705 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -28.31 65.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.56 -56.5 3.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.058 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -115.66 8.01 14.89 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.718 179.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.579 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 120.013 -1.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.64 -44.16 72.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.67 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 6' ' ' LEU . 2.3 pp -58.5 -39.64 80.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.232 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 9.0 mt -60.2 -39.72 87.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 m -52.19 -45.12 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.26 -28.31 61.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.472 . . . . 0.0 109.87 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.62 -40.72 88.41 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.1 -24.99 55.02 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.798 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -28.41 68.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.003 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.99 -56.27 23.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.25 -40.49 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -56.91 -40.59 76.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.89 -35.49 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -52.08 -45.84 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -73.33 -28.93 62.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -47.54 83.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -64.1 -38.82 92.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.4 . . . . 0.0 109.965 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.66 -31.79 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.172 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' HA ' ' HZ3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -81.15 -19.0 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.674 -179.642 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.599 ' N ' HD12 ' A' ' 4' ' ' LEU . 9.8 mp -66.04 -33.0 74.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 5' ' ' LEU . 8.0 mp -59.21 -44.31 92.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.68 -28.33 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -51.76 -35.89 45.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pp -72.26 -27.83 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.35 90.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.71 -23.76 60.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.739 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -62.86 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.55 -56.48 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 13' ' ' LEU . 69.0 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 50.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.61 ' N ' HD12 ' A' ' 4' ' ' LEU . 8.1 mp -75.43 -23.73 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.647 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.5 -34.09 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' SER . 2.3 pp -73.72 -28.36 61.67 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.352 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 t -60.91 -54.19 48.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.364 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.493 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -29.88 72.89 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.24 -56.26 23.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.112 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HZ3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -51.2 -26.79 7.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.272 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.534 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -60.55 -49.8 76.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.457 ' H ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.865 0.364 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -62.46 -44.24 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.258 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.6 mm? -68.9 -43.25 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -52.78 -28.85 24.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.521 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -54.07 -44.21 70.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 9' ' ' GLY . 1.3 pp -71.93 -27.97 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -61.08 -50.04 71.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.02 -19.27 60.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.705 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -28.31 65.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.56 -56.5 3.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.058 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.718 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -69.26 -18.43 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.408 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -71.84 -29.39 64.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.64 -44.16 72.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.67 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 2' ' ' LEU . 2.3 pp -58.5 -39.64 80.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.232 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 9.0 mt -60.2 -39.72 87.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 m -52.19 -45.12 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.26 -28.31 61.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.472 . . . . 0.0 109.87 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.62 -40.72 88.41 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.1 -24.99 55.02 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.798 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -28.41 68.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.003 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.99 -56.27 23.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.36 31.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -56.37 -44.3 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.25 -40.49 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -56.91 -40.59 76.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.89 -35.49 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -52.08 -45.84 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -73.33 -28.93 62.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -47.54 83.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -64.1 -38.82 92.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.4 . . . . 0.0 109.965 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.66 -31.79 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.172 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' HA ' ' HZ3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -81.15 -19.0 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -116.1 -80.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.674 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.461 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.013 -1.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.654 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -69.13 -14.04 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.35 66.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.599 ' N ' HD12 ' A' ' 4' ' ' LEU . 9.8 mp -66.04 -33.0 74.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 5' ' ' LEU . 8.0 mp -59.21 -44.31 92.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.68 -28.33 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -51.76 -35.89 45.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pp -72.26 -27.83 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.35 90.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.71 -23.76 60.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.739 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -62.86 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.55 -56.48 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 13' ' ' LEU . 69.0 mt -148.14 -42.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.96 -14.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 50.4 p -69.0 -33.71 74.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' N ' HD12 ' A' ' 4' ' ' LEU . 8.1 mp -75.43 -23.73 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.647 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.5 -34.09 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' SER . 2.3 pp -73.72 -28.36 61.67 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.352 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 t -60.91 -54.19 48.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.364 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.493 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -29.88 72.89 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.24 -56.26 23.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.112 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HZ3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -51.2 -26.79 7.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.272 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -60.55 -49.8 76.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.457 ' H ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -117.37 -57.99 2.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 179.8 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.53 -17.42 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -60.63 -37.88 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -62.46 -44.24 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.258 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.6 mm? -68.9 -43.25 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -52.78 -28.85 24.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.521 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -54.07 -44.21 70.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 9' ' ' GLY . 1.3 pp -71.93 -27.97 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -61.08 -50.04 71.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 1.8 pp -74.02 -19.27 60.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.705 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -28.31 65.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.56 -56.5 3.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.058 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -115.66 8.01 14.89 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.718 179.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.579 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 120.013 -1.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.85 0.357 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.64 -44.16 72.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.67 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 6' ' ' LEU . 2.3 pp -58.5 -39.64 80.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.232 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 9.0 mt -60.2 -39.72 87.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 m -52.19 -45.12 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.26 -28.31 61.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.472 . . . . 0.0 109.87 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.62 -40.72 88.41 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.1 -24.99 55.02 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.798 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -28.41 68.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.003 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.99 -56.27 23.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.25 -40.49 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -56.91 -40.59 76.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.89 -35.49 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -52.08 -45.84 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -73.33 -28.93 62.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -47.54 83.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -64.1 -38.82 92.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.4 . . . . 0.0 109.965 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.66 -31.79 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.172 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' HA ' ' HZ3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -81.15 -19.0 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.674 -179.642 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' 4' ' ' LEU . 9.8 mp -66.04 -33.0 74.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 5' ' ' LEU . 8.0 mp -59.21 -44.31 92.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.68 -28.33 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -51.76 -35.89 45.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pp -72.26 -27.83 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.35 90.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.71 -23.76 60.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.739 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -62.86 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.55 -56.48 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 13' ' ' LEU . 69.0 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 50.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 4' ' ' LEU . 8.1 mp -75.43 -23.73 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.647 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.5 -34.09 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' SER . 2.3 pp -73.72 -28.36 61.67 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.352 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 t -60.91 -54.19 48.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.364 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.493 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -29.88 72.89 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.24 -56.26 23.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.112 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HZ3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -51.2 -26.79 7.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.272 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.534 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -60.55 -49.8 76.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.865 0.364 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -62.46 -44.24 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.258 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.575 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.6 mm? -68.9 -43.25 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -52.78 -28.85 24.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.521 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -54.07 -44.21 70.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 9' ' ' GLY . 1.3 pp -71.93 -27.97 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -61.08 -50.04 71.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.02 -19.27 60.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.705 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -28.31 65.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.56 -56.5 3.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.058 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.718 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.641 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -69.26 -18.43 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.408 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -71.84 -29.39 64.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.64 -44.16 72.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.67 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 2' ' ' LEU . 2.3 pp -58.5 -39.64 80.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.232 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 9.0 mt -60.2 -39.72 87.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 m -52.19 -45.12 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.26 -28.31 61.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.09 0.472 . . . . 0.0 109.87 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.62 -40.72 88.41 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.1 -24.99 55.02 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.798 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -28.41 68.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.003 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.99 -56.27 23.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.36 31.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -56.37 -44.3 80.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.25 -40.49 94.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -56.91 -40.59 76.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.89 -35.49 58.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -52.08 -45.84 64.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 mt -73.33 -28.93 62.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -47.54 83.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.893 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -64.1 -38.82 92.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.4 . . . . 0.0 109.965 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.66 -31.79 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.172 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' HA ' ' HZ3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -81.15 -19.0 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.521 -179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 mt -116.1 -80.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.674 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.461 ' N ' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.013 -1.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.654 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -69.13 -14.04 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -70.62 -30.35 66.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' 4' ' ' LEU . 9.8 mp -66.04 -33.0 74.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 5' ' ' LEU . 8.0 mp -59.21 -44.31 92.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.68 -28.33 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -51.76 -35.89 45.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.352 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pp -72.26 -27.83 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.23 -47.35 90.31 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.71 -23.76 60.9 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.739 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -62.86 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.55 -56.48 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 13' ' ' LEU . 69.0 mt -148.14 -42.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.96 -14.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 50.4 p -69.0 -33.71 74.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 4' ' ' LEU . 8.1 mp -75.43 -23.73 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.647 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.5 -34.09 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' SER . 2.3 pp -73.72 -28.36 61.67 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.352 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.1 t -60.91 -54.19 48.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.364 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.493 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.61 -29.88 72.89 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.24 -56.26 23.65 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.112 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HZ3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -51.2 -26.79 7.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.272 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -60.55 -49.8 76.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -117.37 -57.99 2.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 179.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.53 -17.42 62.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -60.63 -37.88 82.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -62.46 -44.24 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.258 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.575 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.6 mm? -68.9 -43.25 75.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -52.78 -28.85 24.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.521 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -54.07 -44.21 70.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 9' ' ' GLY . 1.3 pp -71.93 -27.97 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -61.08 -50.04 71.81 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 1.8 pp -74.02 -19.27 60.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.705 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -28.31 65.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.508 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.56 -56.5 3.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.058 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -115.66 8.01 14.89 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.718 179.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.579 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 120.013 -1.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_