data_2mvj_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mvj _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -62.99 -45.65 91.41 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.082 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.45 -43.6 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.807 -0.812 . . . . 1.0 108.807 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.49 -49.64 75.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.72 . . . . 1.0 111.375 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.06 -42.87 99.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.386 0.613 . . . . 1.0 110.159 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.1 -43.97 70.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.219 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.49 -43.88 88.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.143 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -56.4 -50.59 71.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.689 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.83 -42.19 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 1.0 109.632 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.11 58.79 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.07 -44.17 5.45 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.538 -1.825 . . . . 1.0 108.538 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.93 -39.49 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 114.766 -0.717 . . . . 1.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.93 -43.59 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 120.352 -0.539 . . . . 1.0 110.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -66.52 -40.81 89.36 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.579 -0.737 . . . . 1.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.29 84.74 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.375 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.4 mtp -61.99 -55.37 30.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.221 0.534 . . . . 1.0 110.448 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.67 -39.85 95.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.294 0 N-CA-C 109.973 -1.251 . . . . 1.0 109.973 179.862 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.499 0.666 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.0 m -63.01 -42.91 99.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.87 -1.059 . . . . 1.0 109.482 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.6 mp -63.27 -43.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.74 -50.76 72.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.194 0.521 . . . . 1.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.64 -40.39 92.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.954 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.07 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.912 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.44 -44.3 91.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.779 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.67 -47.89 81.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.64 -40.64 92.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.878 -1.055 . . . . 1.0 109.268 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.04 63.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.38 -44.67 6.85 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.418 -1.873 . . . . 1.0 108.418 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.5 mt -70.27 -41.26 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 114.215 -0.993 . . . . 1.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.16 -44.3 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 121.143 0.497 . . . . 1.0 110.487 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.73 -38.92 84.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.276 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.1 93.52 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.879 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.95 -50.7 71.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.444 0.64 . . . . 1.0 110.917 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.9 -42.37 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.222 -0.899 . . . . 1.0 109.515 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.332 0 N-CA-C 109.919 -1.272 . . . . 1.0 109.919 179.562 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -61.31 -47.36 86.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.606 -0.27 . . . . 1.0 111.256 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mp -65.14 -43.28 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.69 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.173 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 -42.32 91.81 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.525 0.679 . . . . 1.0 109.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -42.11 67.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.485 0.66 . . . . 1.0 109.766 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -66.95 -40.12 87.43 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.8 -1.091 . . . . 1.0 110.043 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.43 -51.81 67.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.51 -41.07 85.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.24 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.07 -14.99 55.66 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.365 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.1 4.12 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 108.893 -1.683 . . . . 1.0 108.893 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.92 -30.2 31.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 114.901 -0.65 . . . . 1.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.16 -43.14 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.624 0.726 . . . . 1.0 109.472 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -41.55 88.8 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.717 -1.129 . . . . 1.0 108.983 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.41 82.49 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.633 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.2 mtt -60.72 -55.15 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 1.0 110.66 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.88 -41.72 99.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.038 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.353 0 N-CA-C 110.008 -1.237 . . . . 1.0 110.008 179.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.239 0.542 . . . . 1.0 111.069 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -61.7 -44.88 96.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.7 mp -63.45 -43.53 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.11 -50.72 70.28 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.679 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.01 -41.66 95.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.545 0.688 . . . . 1.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.56 68.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.648 -0.706 . . . . 1.0 111.0 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.0 -43.9 86.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.97 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -56.87 -50.1 73.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.36 -38.61 85.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.137 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -15.58 39.64 Favored Glycine 0 CA--C 1.522 0.51 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.966 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.93 3.89 Favored Glycine 0 N--CA 1.473 1.103 0 N-CA-C 108.821 -1.711 . . . . 1.0 108.821 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.73 -30.36 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.619 -0.791 . . . . 1.0 110.882 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.05 -43.09 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.603 0.716 . . . . 1.0 109.202 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -41.64 93.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.029 -0.987 . . . . 1.0 108.893 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.36 79.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.543 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.1 mtt -61.84 -56.12 22.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.694 0.283 . . . . 1.0 111.206 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.33 -41.68 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.375 0 N-CA-C 109.934 -1.266 . . . . 1.0 109.934 179.364 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 120.675 0.274 . . . . 1.0 111.295 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -62.6 -44.34 96.54 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.124 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.76 -44.47 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 108.44 -0.948 . . . . 1.0 108.44 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.42 -51.07 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.485 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -40.78 84.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.688 0.756 . . . . 1.0 109.374 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -40.74 76.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.754 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.16 -40.06 82.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.581 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.41 -50.91 70.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.88 -1.055 . . . . 1.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.05 54.88 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.917 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.41 -44.1 4.11 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 108.896 -1.682 . . . . 1.0 108.896 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.31 -32.43 42.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.009 -0.596 . . . . 1.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.2 -42.09 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.71 0.767 . . . . 1.0 109.61 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -41.24 88.24 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.93 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.58 74.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.808 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.5 mtt -60.06 -56.8 17.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.176 0.512 . . . . 1.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.82 -39.92 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.739 -0.838 . . . . 1.0 108.739 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 N-CA-C 109.901 -1.28 . . . . 1.0 109.901 179.494 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -62.91 -45.34 92.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.491 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.7 mp -63.74 -43.72 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.55 -51.14 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.936 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.19 -41.56 90.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.531 0.681 . . . . 1.0 110.09 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.44 67.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -64.31 -43.47 94.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.017 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.86 -49.9 74.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.54 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.364 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.7 -15.7 62.43 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.04 -44.31 6.75 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.709 -1.757 . . . . 1.0 108.709 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -71.95 -40.56 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 114.902 -0.649 . . . . 1.0 110.498 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 p -54.15 -44.87 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.02 -0.672 . . . . 1.0 109.432 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -66.07 -37.42 85.75 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.807 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.37 81.92 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.115 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.8 mtt -60.2 -55.74 30.04 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.405 0.621 . . . . 1.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.08 -38.01 87.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.419 -0.809 . . . . 1.0 108.919 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.324 0 N-CA-C 109.665 -1.374 . . . . 1.0 109.665 179.098 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.468 0.175 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -60.48 -47.62 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.777 -0.192 . . . . 1.0 111.374 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.56 -42.84 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.556 -0.535 . . . . 1.0 109.556 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.32 -49.15 78.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.169 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 tp -65.43 -42.32 92.59 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.08 66.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -67.21 -42.94 83.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.555 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.72 -48.53 81.37 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.047 -0.723 . . . . 1.0 109.047 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.66 -40.82 96.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.308 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.02 60.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.394 -0.682 . . . . 1.0 111.394 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.65 -44.43 12.7 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 108.884 -1.686 . . . . 1.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.5 mt -72.28 -41.08 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 114.389 -0.906 . . . . 1.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 17' ' ' ARG . 1.4 p -54.34 -48.78 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.2 0.524 . . . . 1.0 109.619 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 12.2 tpt180 -62.14 -38.38 88.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.785 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.89 99.34 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.85 0.357 . . . . 1.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.5 mtp -65.47 -55.57 17.16 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.67 -39.24 93.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.451 0 N-CA-C 109.905 -1.278 . . . . 1.0 109.905 179.336 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -60.82 -43.81 97.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.365 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.8 mp -62.49 -42.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.02 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.44 -41.99 88.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.55 0.691 . . . . 1.0 110.082 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -56.14 -37.98 70.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.316 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -68.83 -41.17 78.91 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.385 -0.825 . . . . 1.0 109.8 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.12 -50.4 73.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.85 -40.18 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 1.0 109.874 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -61.24 -16.65 49.84 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.351 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.31 -44.36 4.38 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 108.763 -1.735 . . . . 1.0 108.763 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.23 -29.41 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 114.66 -0.77 . . . . 1.0 111.493 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.83 -42.76 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 120.273 -0.571 . . . . 1.0 110.022 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -69.19 -39.75 78.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.322 -0.854 . . . . 1.0 109.601 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.92 77.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.4 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 93.2 mtp -60.53 -57.66 11.79 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.02 0.438 . . . . 1.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.92 -40.26 97.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 110.206 -1.158 . . . . 1.0 110.206 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 110.212 -0.292 . . . . 1.0 110.212 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -60.72 -49.8 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.882 0.373 . . . . 1.0 110.109 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.68 -51.03 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.109 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.78 -42.04 91.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.483 0.659 . . . . 1.0 109.674 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.23 67.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -66.73 -43.44 84.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.479 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.28 -48.39 81.95 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.69 -39.77 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.817 -1.083 . . . . 1.0 109.642 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -21.73 62.75 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.57 -43.34 9.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 108.602 -1.799 . . . . 1.0 108.602 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.29 -39.85 64.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 114.484 -0.858 . . . . 1.0 111.461 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.69 -43.45 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 1.0 109.641 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 tpt85 -65.8 -38.86 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.727 -1.124 . . . . 1.0 109.591 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.85 96.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.39 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtm -61.73 -48.81 79.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.248 0.546 . . . . 1.0 110.671 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.99 -40.02 91.89 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.694 -0.854 . . . . 1.0 108.694 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 CA-C-N 114.592 -1.185 . . . . 1.0 110.18 179.326 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -61.45 -51.22 69.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 1.0 111.598 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -64.43 -42.09 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.17 -50.92 72.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.879 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.3 -40.64 90.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 1.0 110.23 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.45 69.67 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.407 -0.815 . . . . 1.0 111.1 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.66 -42.56 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.053 0.454 . . . . 1.0 110.381 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.08 -51.74 66.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.161 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.44 -41.6 93.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.85 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.83 -21.53 63.34 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.831 -0.507 . . . . 1.0 111.831 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.9 -44.04 9.45 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.504 -1.838 . . . . 1.0 108.504 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -70.56 -42.0 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 114.421 -0.889 . . . . 1.0 111.189 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -54.07 -44.86 64.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.307 0.575 . . . . 1.0 109.909 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.7 -37.73 85.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.419 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.88 87.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.105 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.1 mtt -62.35 -53.05 60.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.42 0.628 . . . . 1.0 110.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.93 -39.25 93.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.951 -0.759 . . . . 1.0 108.951 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.386 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.592 ' C ' ' H ' ' A' ' 4' ' ' TYR . 67.9 mttm -67.84 -12.8 61.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.34 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 64.07 -12.63 0.1 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.597 0.56 . . . . 1.0 110.986 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.592 ' H ' ' C ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -78.06 -13.0 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -62.99 -45.65 91.41 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.082 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.45 -43.6 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.807 -0.812 . . . . 1.0 108.807 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.49 -49.64 75.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.72 . . . . 1.0 111.375 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.06 -42.87 99.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.386 0.613 . . . . 1.0 110.159 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.1 -43.97 70.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.219 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.49 -43.88 88.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.143 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -56.4 -50.59 71.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.689 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.83 -42.19 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 1.0 109.632 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.11 58.79 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.07 -44.17 5.45 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.538 -1.825 . . . . 1.0 108.538 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.93 -39.49 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 114.766 -0.717 . . . . 1.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.93 -43.59 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 120.352 -0.539 . . . . 1.0 110.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -66.52 -40.81 89.36 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.579 -0.737 . . . . 1.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.29 84.74 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.375 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.4 mtp -61.99 -55.37 30.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.221 0.534 . . . . 1.0 110.448 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.67 -39.85 95.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.11 -27.25 68.64 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.973 -1.251 . . . . 1.0 109.973 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -62.0 -42.91 99.67 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -92.67 120.97 33.62 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.596 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -96.32 140.75 30.54 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.594 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.75 -38.92 92.43 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.317 -0.849 . . . . 1.0 110.076 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.71 -78.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.878 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -161.48 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -63.45 -27.12 69.07 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.499 0.666 . . . . 1.0 109.241 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.0 m -63.01 -42.91 99.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.87 -1.059 . . . . 1.0 109.482 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.6 mp -63.27 -43.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.74 -50.76 72.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.194 0.521 . . . . 1.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.64 -40.39 92.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.954 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.07 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.912 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.44 -44.3 91.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.779 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.67 -47.89 81.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.64 -40.64 92.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.878 -1.055 . . . . 1.0 109.268 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.04 63.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.38 -44.67 6.85 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.418 -1.873 . . . . 1.0 108.418 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.5 mt -70.27 -41.26 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 114.215 -0.993 . . . . 1.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.16 -44.3 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 121.143 0.497 . . . . 1.0 110.487 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.73 -38.92 84.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.276 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.1 93.52 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.879 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.95 -50.7 71.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.444 0.64 . . . . 1.0 110.917 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.9 -42.37 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.222 -0.899 . . . . 1.0 109.515 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.85 -33.17 85.02 Favored Glycine 0 C--N 1.32 -0.332 0 N-CA-C 109.919 -1.272 . . . . 1.0 109.919 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -73.72 -27.5 61.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.177 -0.511 . . . . 1.0 111.096 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.4 -46.94 87.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.096 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -102.88 139.84 37.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.901 0.381 . . . . 1.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.77 -42.46 97.78 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.424 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.87 138.11 55.79 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.15 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -63.39 -23.61 67.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 1.0 109.654 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.82 -43.08 98.68 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.069 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -61.31 -47.36 86.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.606 -0.27 . . . . 1.0 111.256 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mp -65.14 -43.28 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.69 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.173 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 -42.32 91.81 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.525 0.679 . . . . 1.0 109.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -42.11 67.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.485 0.66 . . . . 1.0 109.766 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -66.95 -40.12 87.43 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.8 -1.091 . . . . 1.0 110.043 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.43 -51.81 67.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.51 -41.07 85.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.24 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.07 -14.99 55.66 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.365 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.1 4.12 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 108.893 -1.683 . . . . 1.0 108.893 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.92 -30.2 31.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 114.901 -0.65 . . . . 1.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.16 -43.14 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.624 0.726 . . . . 1.0 109.472 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -41.55 88.8 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.717 -1.129 . . . . 1.0 108.983 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.41 82.49 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.633 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.2 mtt -60.72 -55.15 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 1.0 110.66 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.88 -41.72 99.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.038 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.23 -27.75 72.76 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.008 -1.237 . . . . 1.0 110.008 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -85.23 -14.26 47.32 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.367 -0.416 . . . . 1.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 71.4 t80 -75.91 47.89 0.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.52 0.676 . . . . 1.0 110.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.16 -172.92 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.474 -0.784 . . . . 1.0 110.934 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.2 142.95 57.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.889 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.95 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.97 143.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.573 -0.74 . . . . 1.0 112.464 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -72.24 -35.05 68.73 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.062 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -16.32 0.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.239 0.542 . . . . 1.0 111.069 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -61.7 -44.88 96.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.7 mp -63.45 -43.53 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.11 -50.72 70.28 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.679 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.01 -41.66 95.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.545 0.688 . . . . 1.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.56 68.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.648 -0.706 . . . . 1.0 111.0 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.0 -43.9 86.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.97 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -56.87 -50.1 73.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.36 -38.61 85.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.137 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -15.58 39.64 Favored Glycine 0 CA--C 1.522 0.51 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.966 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.93 3.89 Favored Glycine 0 N--CA 1.473 1.103 0 N-CA-C 108.821 -1.711 . . . . 1.0 108.821 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.73 -30.36 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.619 -0.791 . . . . 1.0 110.882 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.05 -43.09 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.603 0.716 . . . . 1.0 109.202 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -41.64 93.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.029 -0.987 . . . . 1.0 108.893 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.36 79.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.543 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.1 mtt -61.84 -56.12 22.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.694 0.283 . . . . 1.0 111.206 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.33 -41.68 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.06 79.63 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 109.934 -1.266 . . . . 1.0 109.934 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.7 m -85.79 -28.81 24.28 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.467 -0.367 . . . . 1.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' LYS . 67.8 t80 -60.33 -45.92 91.72 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.176 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -64.73 77.52 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.082 0.468 . . . . 1.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' PHE . 64.0 tttm -63.38 -41.04 98.77 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.007 -0.997 . . . . 1.0 111.131 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 108.785 -0.82 . . . . 1.0 108.785 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.0 151.49 45.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.09 -42.51 94.0 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.902 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -62.22 -18.14 60.26 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 120.849 -0.34 . . . . 1.0 111.295 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -62.6 -44.34 96.54 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.124 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.76 -44.47 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 108.44 -0.948 . . . . 1.0 108.44 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.42 -51.07 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.485 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -40.78 84.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.688 0.756 . . . . 1.0 109.374 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -40.74 76.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.754 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.16 -40.06 82.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.581 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.41 -50.91 70.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.88 -1.055 . . . . 1.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.05 54.88 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.917 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.41 -44.1 4.11 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 108.896 -1.682 . . . . 1.0 108.896 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.31 -32.43 42.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.009 -0.596 . . . . 1.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.2 -42.09 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.71 0.767 . . . . 1.0 109.61 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -41.24 88.24 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.93 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.58 74.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.808 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.5 mtt -60.06 -56.8 17.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.176 0.512 . . . . 1.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.82 -39.92 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.739 -0.838 . . . . 1.0 108.739 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -33.9 88.02 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.901 -1.28 . . . . 1.0 109.901 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -81.44 -24.74 36.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.929 -0.635 . . . . 1.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -61.81 -43.05 99.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.765 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.7 97.35 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.16 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -124.93 104.35 8.54 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.327 -0.619 . . . . 1.0 109.327 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.33 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.3 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -63.6 145.53 55.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.995 0.426 . . . . 1.0 110.689 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -64.32 -27.98 69.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -21.06 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -62.91 -45.34 92.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.491 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.7 mp -63.74 -43.72 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.55 -51.14 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.936 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.19 -41.56 90.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.531 0.681 . . . . 1.0 110.09 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.44 67.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -64.31 -43.47 94.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.017 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.86 -49.9 74.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.54 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.364 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.7 -15.7 62.43 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.04 -44.31 6.75 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.709 -1.757 . . . . 1.0 108.709 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -71.95 -40.56 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 114.902 -0.649 . . . . 1.0 110.498 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 p -54.15 -44.87 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.02 -0.672 . . . . 1.0 109.432 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -66.07 -37.42 85.75 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.807 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.37 81.92 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.115 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.8 mtt -60.2 -55.74 30.04 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.405 0.621 . . . . 1.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.08 -38.01 87.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.419 -0.809 . . . . 1.0 108.919 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.34 -34.56 90.29 Favored Glycine 0 N--CA 1.461 0.324 0 N-CA-C 109.665 -1.374 . . . . 1.0 109.665 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.099 0.476 . . . . 1.0 109.953 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.86 81.95 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.653 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -112.18 153.5 26.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.28 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -65.28 145.3 56.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.739 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.635 -179.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -70.08 142.0 52.7 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.336 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -65.1 -21.99 66.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.132 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.6 -38.79 91.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -60.48 -47.62 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.777 -0.192 . . . . 1.0 111.374 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.56 -42.84 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.556 -0.535 . . . . 1.0 109.556 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.32 -49.15 78.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.169 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 tp -65.43 -42.32 92.59 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.08 66.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -67.21 -42.94 83.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.555 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.72 -48.53 81.37 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.047 -0.723 . . . . 1.0 109.047 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.66 -40.82 96.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.308 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.02 60.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.394 -0.682 . . . . 1.0 111.394 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.65 -44.43 12.7 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 108.884 -1.686 . . . . 1.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.5 mt -72.28 -41.08 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 114.389 -0.906 . . . . 1.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 17' ' ' ARG . 1.4 p -54.34 -48.78 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.2 0.524 . . . . 1.0 109.619 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 12.2 tpt180 -62.14 -38.38 88.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.785 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.89 99.34 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.85 0.357 . . . . 1.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.5 mtp -65.47 -55.57 17.16 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.67 -39.24 93.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.75 -29.22 74.66 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.905 -1.278 . . . . 1.0 109.905 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -87.96 -15.38 36.66 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.11 -0.545 . . . . 1.0 111.085 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -62.58 -42.55 99.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.734 0.302 . . . . 1.0 110.42 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -41.68 103.94 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.858 -0.61 . . . . 1.0 112.285 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.81 -45.51 89.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.034 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.995 -1.003 . . . . 1.0 109.838 179.545 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.7 141.14 55.39 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -58.67 -29.79 66.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.26 0.552 . . . . 1.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -37.19 85.29 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.313 -0.858 . . . . 1.0 109.674 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -60.82 -43.81 97.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.365 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.8 mp -62.49 -42.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.02 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.44 -41.99 88.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.55 0.691 . . . . 1.0 110.082 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -56.14 -37.98 70.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.316 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -68.83 -41.17 78.91 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.385 -0.825 . . . . 1.0 109.8 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.12 -50.4 73.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.85 -40.18 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 1.0 109.874 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -61.24 -16.65 49.84 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.351 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.31 -44.36 4.38 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 108.763 -1.735 . . . . 1.0 108.763 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.23 -29.41 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 114.66 -0.77 . . . . 1.0 111.493 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.83 -42.76 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 120.273 -0.571 . . . . 1.0 110.022 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -69.19 -39.75 78.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.322 -0.854 . . . . 1.0 109.601 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.92 77.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.4 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 93.2 mtp -60.53 -57.66 11.79 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.02 0.438 . . . . 1.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.92 -40.26 97.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.28 -29.79 76.15 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.206 -1.158 . . . . 1.0 110.206 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 t -90.92 -17.18 26.85 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.515 -0.342 . . . . 1.0 111.206 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.43 -49.41 77.68 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.093 -0.243 . . . . 1.0 110.888 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 46.36 -168.17 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.262 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -110.43 133.42 53.29 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 1.0 110.291 -179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.87 142.1 58.53 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -55.2 -28.53 53.68 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -37.0 84.33 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.212 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -60.72 -49.8 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.882 0.373 . . . . 1.0 110.109 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.68 -51.03 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.109 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.78 -42.04 91.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.483 0.659 . . . . 1.0 109.674 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.23 67.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -66.73 -43.44 84.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.479 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.28 -48.39 81.95 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.69 -39.77 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.817 -1.083 . . . . 1.0 109.642 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -21.73 62.75 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.57 -43.34 9.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 108.602 -1.799 . . . . 1.0 108.602 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.29 -39.85 64.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 114.484 -0.858 . . . . 1.0 111.461 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.69 -43.45 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 1.0 109.641 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 tpt85 -65.8 -38.86 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.727 -1.124 . . . . 1.0 109.591 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.85 96.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.39 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtm -61.73 -48.81 79.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.248 0.546 . . . . 1.0 110.671 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.99 -40.02 91.89 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.694 -0.854 . . . . 1.0 108.694 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.78 -26.48 73.82 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 114.592 -1.185 . . . . 1.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 p -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.836 0.35 . . . . 1.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.33 -45.51 93.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.542 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.16 103.85 0.26 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.672 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 53.0 90.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.863 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.102 -0.703 . . . . 1.0 109.102 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 56.71 163.13 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -79.45 0.64 28.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.929 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -44.23 97.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -61.45 -51.22 69.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 1.0 111.598 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -64.43 -42.09 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.17 -50.92 72.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.879 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.3 -40.64 90.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 1.0 110.23 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.45 69.67 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.407 -0.815 . . . . 1.0 111.1 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.66 -42.56 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.053 0.454 . . . . 1.0 110.381 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.08 -51.74 66.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.161 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.44 -41.6 93.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.85 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.83 -21.53 63.34 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.831 -0.507 . . . . 1.0 111.831 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.9 -44.04 9.45 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.504 -1.838 . . . . 1.0 108.504 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -70.56 -42.0 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 114.421 -0.889 . . . . 1.0 111.189 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -54.07 -44.86 64.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.307 0.575 . . . . 1.0 109.909 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.7 -37.73 85.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.419 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.88 87.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.105 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.1 mtt -62.35 -53.05 60.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.42 0.628 . . . . 1.0 110.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.93 -39.25 93.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.951 -0.759 . . . . 1.0 108.951 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.68 91.75 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -66.07 -40.6 91.02 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.879 -0.786 . . . . 1.0 108.879 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.31 98.12 1.34 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.361 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.95 140.65 55.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.06 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -73.47 145.66 45.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.357 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.02 -0.99 . . . . 1.0 111.175 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -62.99 -45.65 91.41 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.082 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -64.45 -43.6 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.807 -0.812 . . . . 1.0 108.807 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.49 -49.64 75.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.72 . . . . 1.0 111.375 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.06 -42.87 99.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.386 0.613 . . . . 1.0 110.159 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.1 -43.97 70.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.219 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.49 -43.88 88.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.143 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -56.4 -50.59 71.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.689 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.83 -42.19 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 1.0 109.632 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.11 58.79 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.07 -44.17 5.45 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.538 -1.825 . . . . 1.0 108.538 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.93 -39.49 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 114.766 -0.717 . . . . 1.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.93 -43.59 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 120.352 -0.539 . . . . 1.0 110.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -66.52 -40.81 89.36 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.579 -0.737 . . . . 1.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.29 84.74 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.375 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.4 mtp -61.99 -55.37 30.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.221 0.534 . . . . 1.0 110.448 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.67 -39.85 95.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.294 0 N-CA-C 109.973 -1.251 . . . . 1.0 109.973 179.862 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.499 0.666 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.0 m -63.01 -42.91 99.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.87 -1.059 . . . . 1.0 109.482 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.6 mp -63.27 -43.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.74 -50.76 72.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.194 0.521 . . . . 1.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.64 -40.39 92.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.954 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.07 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.912 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.44 -44.3 91.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.779 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.67 -47.89 81.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.64 -40.64 92.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.878 -1.055 . . . . 1.0 109.268 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.04 63.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.38 -44.67 6.85 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.418 -1.873 . . . . 1.0 108.418 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.5 mt -70.27 -41.26 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 114.215 -0.993 . . . . 1.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.16 -44.3 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 121.143 0.497 . . . . 1.0 110.487 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.73 -38.92 84.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.276 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.1 93.52 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.879 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.95 -50.7 71.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.444 0.64 . . . . 1.0 110.917 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.9 -42.37 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.222 -0.899 . . . . 1.0 109.515 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.332 0 N-CA-C 109.919 -1.272 . . . . 1.0 109.919 179.562 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -61.31 -47.36 86.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.606 -0.27 . . . . 1.0 111.256 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.4 mp -65.14 -43.28 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.69 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.173 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 -42.32 91.81 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.525 0.679 . . . . 1.0 109.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -42.11 67.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.485 0.66 . . . . 1.0 109.766 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -66.95 -40.12 87.43 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.8 -1.091 . . . . 1.0 110.043 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.43 -51.81 67.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.51 -41.07 85.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.24 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.07 -14.99 55.66 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.365 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.1 4.12 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 108.893 -1.683 . . . . 1.0 108.893 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.92 -30.2 31.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 114.901 -0.65 . . . . 1.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 17' ' ' ARG . 7.7 p -56.16 -43.14 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.624 0.726 . . . . 1.0 109.472 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' N ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -66.48 -41.55 88.8 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.717 -1.129 . . . . 1.0 108.983 178.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.41 82.49 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.633 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.2 mtt -60.72 -55.15 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 1.0 110.66 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.88 -41.72 99.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.038 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.353 0 N-CA-C 110.008 -1.237 . . . . 1.0 110.008 179.344 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.239 0.542 . . . . 1.0 111.069 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -61.7 -44.88 96.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -63.45 -43.53 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.11 -50.72 70.28 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.679 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.01 -41.66 95.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.545 0.688 . . . . 1.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.56 68.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.648 -0.706 . . . . 1.0 111.0 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.0 -43.9 86.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.97 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -56.87 -50.1 73.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.36 -38.61 85.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.137 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -15.58 39.64 Favored Glycine 0 CA--C 1.522 0.51 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.966 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.93 3.89 Favored Glycine 0 N--CA 1.473 1.103 0 N-CA-C 108.821 -1.711 . . . . 1.0 108.821 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.73 -30.36 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.619 -0.791 . . . . 1.0 110.882 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.05 -43.09 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.603 0.716 . . . . 1.0 109.202 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -41.64 93.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.029 -0.987 . . . . 1.0 108.893 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.36 79.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.543 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.1 mtt -61.84 -56.12 22.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.694 0.283 . . . . 1.0 111.206 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.33 -41.68 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.375 0 N-CA-C 109.934 -1.266 . . . . 1.0 109.934 179.364 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 120.675 0.274 . . . . 1.0 111.295 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -62.6 -44.34 96.54 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.124 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.0 mp -62.76 -44.47 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 108.44 -0.948 . . . . 1.0 108.44 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.42 -51.07 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.485 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -40.78 84.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.688 0.756 . . . . 1.0 109.374 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -40.74 76.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.754 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.16 -40.06 82.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.581 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.41 -50.91 70.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.88 -1.055 . . . . 1.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.05 54.88 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.917 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.41 -44.1 4.11 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 108.896 -1.682 . . . . 1.0 108.896 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.31 -32.43 42.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.009 -0.596 . . . . 1.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.2 -42.09 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.71 0.767 . . . . 1.0 109.61 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -41.24 88.24 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.93 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.58 74.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.808 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.5 mtt -60.06 -56.8 17.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.176 0.512 . . . . 1.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.82 -39.92 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.739 -0.838 . . . . 1.0 108.739 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 N-CA-C 109.901 -1.28 . . . . 1.0 109.901 179.494 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -62.91 -45.34 92.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.491 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -63.74 -43.72 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.55 -51.14 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.936 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.19 -41.56 90.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.531 0.681 . . . . 1.0 110.09 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.44 67.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -64.31 -43.47 94.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.017 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.86 -49.9 74.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.54 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.364 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.7 -15.7 62.43 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.04 -44.31 6.75 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.709 -1.757 . . . . 1.0 108.709 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -71.95 -40.56 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 114.902 -0.649 . . . . 1.0 110.498 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 p -54.15 -44.87 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.02 -0.672 . . . . 1.0 109.432 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -66.07 -37.42 85.75 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.807 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.37 81.92 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.115 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.8 mtt -60.2 -55.74 30.04 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.405 0.621 . . . . 1.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.08 -38.01 87.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.419 -0.809 . . . . 1.0 108.919 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.324 0 N-CA-C 109.665 -1.374 . . . . 1.0 109.665 179.098 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.468 0.175 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -60.48 -47.62 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.777 -0.192 . . . . 1.0 111.374 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.56 -42.84 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.556 -0.535 . . . . 1.0 109.556 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.32 -49.15 78.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.169 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 tp -65.43 -42.32 92.59 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.08 66.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -67.21 -42.94 83.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.555 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.72 -48.53 81.37 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.047 -0.723 . . . . 1.0 109.047 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.66 -40.82 96.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.308 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.02 60.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.394 -0.682 . . . . 1.0 111.394 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.65 -44.43 12.7 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 108.884 -1.686 . . . . 1.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.5 mt -72.28 -41.08 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 114.389 -0.906 . . . . 1.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 17' ' ' ARG . 1.4 p -54.34 -48.78 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.2 0.524 . . . . 1.0 109.619 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 12.2 tpt180 -62.14 -38.38 88.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.785 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.89 99.34 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.85 0.357 . . . . 1.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.5 mtp -65.47 -55.57 17.16 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.67 -39.24 93.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.451 0 N-CA-C 109.905 -1.278 . . . . 1.0 109.905 179.336 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -60.82 -43.81 97.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.365 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -62.49 -42.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.02 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.44 -41.99 88.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.55 0.691 . . . . 1.0 110.082 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -56.14 -37.98 70.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.316 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -68.83 -41.17 78.91 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.385 -0.825 . . . . 1.0 109.8 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.12 -50.4 73.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.85 -40.18 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 1.0 109.874 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -61.24 -16.65 49.84 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.351 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.31 -44.36 4.38 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 108.763 -1.735 . . . . 1.0 108.763 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.23 -29.41 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 114.66 -0.77 . . . . 1.0 111.493 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 17' ' ' ARG . 7.6 p -53.83 -42.76 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 120.273 -0.571 . . . . 1.0 110.022 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 16' ' ' VAL . 18.6 tpp85 -69.19 -39.75 78.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.322 -0.854 . . . . 1.0 109.601 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.92 77.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.4 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 93.2 mtp -60.53 -57.66 11.79 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.02 0.438 . . . . 1.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.92 -40.26 97.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 110.206 -1.158 . . . . 1.0 110.206 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 110.212 -0.292 . . . . 1.0 110.212 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -60.72 -49.8 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.882 0.373 . . . . 1.0 110.109 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.68 -51.03 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.109 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.78 -42.04 91.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.483 0.659 . . . . 1.0 109.674 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.23 67.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -66.73 -43.44 84.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.479 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.28 -48.39 81.95 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.69 -39.77 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.817 -1.083 . . . . 1.0 109.642 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -21.73 62.75 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.57 -43.34 9.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 108.602 -1.799 . . . . 1.0 108.602 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.29 -39.85 64.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 114.484 -0.858 . . . . 1.0 111.461 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.69 -43.45 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 1.0 109.641 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 tpt85 -65.8 -38.86 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.727 -1.124 . . . . 1.0 109.591 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.85 96.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.39 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtm -61.73 -48.81 79.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.248 0.546 . . . . 1.0 110.671 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.99 -40.02 91.89 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.694 -0.854 . . . . 1.0 108.694 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 CA-C-N 114.592 -1.185 . . . . 1.0 110.18 179.326 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -61.45 -51.22 69.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 1.0 111.598 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.3 mp -64.43 -42.09 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.17 -50.92 72.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.879 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.3 -40.64 90.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 1.0 110.23 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.45 69.67 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.407 -0.815 . . . . 1.0 111.1 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.66 -42.56 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.053 0.454 . . . . 1.0 110.381 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.08 -51.74 66.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.161 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.44 -41.6 93.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.85 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.83 -21.53 63.34 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.831 -0.507 . . . . 1.0 111.831 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.9 -44.04 9.45 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.504 -1.838 . . . . 1.0 108.504 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -70.56 -42.0 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 114.421 -0.889 . . . . 1.0 111.189 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -54.07 -44.86 64.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.307 0.575 . . . . 1.0 109.909 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.7 -37.73 85.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.419 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.88 87.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.105 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.1 mtt -62.35 -53.05 60.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.42 0.628 . . . . 1.0 110.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.93 -39.25 93.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.951 -0.759 . . . . 1.0 108.951 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.386 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 4' ' ' TYR . 67.9 mttm -67.84 -12.8 61.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.34 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 64.07 -12.63 0.1 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.597 0.56 . . . . 1.0 110.986 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.579 ' H ' ' C ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -78.06 -13.0 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -62.99 -45.65 91.41 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.082 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -64.45 -43.6 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.807 -0.812 . . . . 1.0 108.807 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.49 -49.64 75.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.72 . . . . 1.0 111.375 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.06 -42.87 99.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.386 0.613 . . . . 1.0 110.159 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.1 -43.97 70.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.219 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.49 -43.88 88.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.143 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -56.4 -50.59 71.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.689 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.83 -42.19 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 1.0 109.632 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.11 58.79 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.07 -44.17 5.45 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.538 -1.825 . . . . 1.0 108.538 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.93 -39.49 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 114.766 -0.717 . . . . 1.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.93 -43.59 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 120.352 -0.539 . . . . 1.0 110.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -66.52 -40.81 89.36 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.579 -0.737 . . . . 1.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.29 84.74 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.375 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.4 mtp -61.99 -55.37 30.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.221 0.534 . . . . 1.0 110.448 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.67 -39.85 95.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.11 -27.25 68.64 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.973 -1.251 . . . . 1.0 109.973 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -62.0 -42.91 99.67 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -92.67 120.97 33.62 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.596 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -96.32 140.75 30.54 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.594 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.75 -38.92 92.43 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.317 -0.849 . . . . 1.0 110.076 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.71 -78.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.878 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -161.48 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -63.45 -27.12 69.07 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.499 0.666 . . . . 1.0 109.241 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.0 m -63.01 -42.91 99.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.87 -1.059 . . . . 1.0 109.482 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.6 mp -63.27 -43.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.74 -50.76 72.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.194 0.521 . . . . 1.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.64 -40.39 92.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.954 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.07 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.912 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.44 -44.3 91.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.779 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.67 -47.89 81.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.64 -40.64 92.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.878 -1.055 . . . . 1.0 109.268 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.04 63.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.38 -44.67 6.85 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.418 -1.873 . . . . 1.0 108.418 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.5 mt -70.27 -41.26 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 114.215 -0.993 . . . . 1.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.16 -44.3 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 121.143 0.497 . . . . 1.0 110.487 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.73 -38.92 84.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.276 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.1 93.52 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.879 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.95 -50.7 71.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.444 0.64 . . . . 1.0 110.917 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.9 -42.37 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.222 -0.899 . . . . 1.0 109.515 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.85 -33.17 85.02 Favored Glycine 0 C--N 1.32 -0.332 0 N-CA-C 109.919 -1.272 . . . . 1.0 109.919 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -73.72 -27.5 61.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.177 -0.511 . . . . 1.0 111.096 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.4 -46.94 87.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.096 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -102.88 139.84 37.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.901 0.381 . . . . 1.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.77 -42.46 97.78 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.424 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.87 138.11 55.79 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.15 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -63.39 -23.61 67.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 1.0 109.654 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.82 -43.08 98.68 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.069 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -61.31 -47.36 86.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.606 -0.27 . . . . 1.0 111.256 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.4 mp -65.14 -43.28 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.69 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.173 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 -42.32 91.81 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.525 0.679 . . . . 1.0 109.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -42.11 67.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.485 0.66 . . . . 1.0 109.766 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -66.95 -40.12 87.43 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.8 -1.091 . . . . 1.0 110.043 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.43 -51.81 67.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.51 -41.07 85.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.24 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.07 -14.99 55.66 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.365 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.1 4.12 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 108.893 -1.683 . . . . 1.0 108.893 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.92 -30.2 31.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 114.901 -0.65 . . . . 1.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 17' ' ' ARG . 7.7 p -56.16 -43.14 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.624 0.726 . . . . 1.0 109.472 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' N ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -66.48 -41.55 88.8 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.717 -1.129 . . . . 1.0 108.983 178.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.41 82.49 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.633 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.2 mtt -60.72 -55.15 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 1.0 110.66 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.88 -41.72 99.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.038 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.23 -27.75 72.76 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.008 -1.237 . . . . 1.0 110.008 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -85.23 -14.26 47.32 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.367 -0.416 . . . . 1.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 71.4 t80 -75.91 47.89 0.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.52 0.676 . . . . 1.0 110.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.16 -172.92 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.474 -0.784 . . . . 1.0 110.934 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.2 142.95 57.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.889 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.95 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.97 143.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.573 -0.74 . . . . 1.0 112.464 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -72.24 -35.05 68.73 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.062 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -16.32 0.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.239 0.542 . . . . 1.0 111.069 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -61.7 -44.88 96.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -63.45 -43.53 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.11 -50.72 70.28 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.679 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.01 -41.66 95.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.545 0.688 . . . . 1.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.56 68.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.648 -0.706 . . . . 1.0 111.0 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.0 -43.9 86.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.97 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -56.87 -50.1 73.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.36 -38.61 85.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.137 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -15.58 39.64 Favored Glycine 0 CA--C 1.522 0.51 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.966 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.93 3.89 Favored Glycine 0 N--CA 1.473 1.103 0 N-CA-C 108.821 -1.711 . . . . 1.0 108.821 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.73 -30.36 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.619 -0.791 . . . . 1.0 110.882 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.05 -43.09 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.603 0.716 . . . . 1.0 109.202 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -41.64 93.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.029 -0.987 . . . . 1.0 108.893 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.36 79.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.543 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.1 mtt -61.84 -56.12 22.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.694 0.283 . . . . 1.0 111.206 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.33 -41.68 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.06 79.63 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 109.934 -1.266 . . . . 1.0 109.934 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.7 m -85.79 -28.81 24.28 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.467 -0.367 . . . . 1.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' LYS . 67.8 t80 -60.33 -45.92 91.72 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.176 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -64.73 77.52 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.082 0.468 . . . . 1.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' PHE . 64.0 tttm -63.38 -41.04 98.77 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.007 -0.997 . . . . 1.0 111.131 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 108.785 -0.82 . . . . 1.0 108.785 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.0 151.49 45.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.09 -42.51 94.0 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.902 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -62.22 -18.14 60.26 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 120.849 -0.34 . . . . 1.0 111.295 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -62.6 -44.34 96.54 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.124 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.0 mp -62.76 -44.47 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 108.44 -0.948 . . . . 1.0 108.44 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.42 -51.07 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.485 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -40.78 84.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.688 0.756 . . . . 1.0 109.374 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -40.74 76.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.754 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.16 -40.06 82.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.581 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.41 -50.91 70.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.88 -1.055 . . . . 1.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.05 54.88 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.917 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.41 -44.1 4.11 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 108.896 -1.682 . . . . 1.0 108.896 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.31 -32.43 42.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.009 -0.596 . . . . 1.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.2 -42.09 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.71 0.767 . . . . 1.0 109.61 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -41.24 88.24 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.93 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.58 74.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.808 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.5 mtt -60.06 -56.8 17.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.176 0.512 . . . . 1.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.82 -39.92 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.739 -0.838 . . . . 1.0 108.739 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -33.9 88.02 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.901 -1.28 . . . . 1.0 109.901 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -81.44 -24.74 36.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.929 -0.635 . . . . 1.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -61.81 -43.05 99.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.765 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.7 97.35 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.16 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -124.93 104.35 8.54 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.327 -0.619 . . . . 1.0 109.327 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.33 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.3 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -63.6 145.53 55.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.995 0.426 . . . . 1.0 110.689 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -64.32 -27.98 69.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -21.06 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -62.91 -45.34 92.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.491 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -63.74 -43.72 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.55 -51.14 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.936 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.19 -41.56 90.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.531 0.681 . . . . 1.0 110.09 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.44 67.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -64.31 -43.47 94.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.017 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.86 -49.9 74.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.54 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.364 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.7 -15.7 62.43 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.04 -44.31 6.75 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.709 -1.757 . . . . 1.0 108.709 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -71.95 -40.56 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 114.902 -0.649 . . . . 1.0 110.498 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 p -54.15 -44.87 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.02 -0.672 . . . . 1.0 109.432 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -66.07 -37.42 85.75 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.807 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.37 81.92 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.115 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.8 mtt -60.2 -55.74 30.04 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.405 0.621 . . . . 1.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.08 -38.01 87.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.419 -0.809 . . . . 1.0 108.919 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.34 -34.56 90.29 Favored Glycine 0 N--CA 1.461 0.324 0 N-CA-C 109.665 -1.374 . . . . 1.0 109.665 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.099 0.476 . . . . 1.0 109.953 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.86 81.95 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.653 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -112.18 153.5 26.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.28 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -65.28 145.3 56.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.739 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.635 -179.629 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -70.08 142.0 52.7 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.336 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -65.1 -21.99 66.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.132 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.6 -38.79 91.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -60.48 -47.62 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.777 -0.192 . . . . 1.0 111.374 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.56 -42.84 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.556 -0.535 . . . . 1.0 109.556 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.32 -49.15 78.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.169 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 tp -65.43 -42.32 92.59 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.08 66.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -67.21 -42.94 83.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.555 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.72 -48.53 81.37 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.047 -0.723 . . . . 1.0 109.047 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.66 -40.82 96.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.308 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.02 60.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.394 -0.682 . . . . 1.0 111.394 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.65 -44.43 12.7 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 108.884 -1.686 . . . . 1.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.5 mt -72.28 -41.08 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 114.389 -0.906 . . . . 1.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 17' ' ' ARG . 1.4 p -54.34 -48.78 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.2 0.524 . . . . 1.0 109.619 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 12.2 tpt180 -62.14 -38.38 88.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.785 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.89 99.34 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.85 0.357 . . . . 1.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.5 mtp -65.47 -55.57 17.16 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.67 -39.24 93.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.75 -29.22 74.66 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.905 -1.278 . . . . 1.0 109.905 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -87.96 -15.38 36.66 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.11 -0.545 . . . . 1.0 111.085 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -62.58 -42.55 99.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.734 0.302 . . . . 1.0 110.42 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -41.68 103.94 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.858 -0.61 . . . . 1.0 112.285 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.81 -45.51 89.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.034 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.995 -1.003 . . . . 1.0 109.838 179.545 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.7 141.14 55.39 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -58.67 -29.79 66.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.26 0.552 . . . . 1.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -37.19 85.29 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.313 -0.858 . . . . 1.0 109.674 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -60.82 -43.81 97.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.365 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -62.49 -42.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.02 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.44 -41.99 88.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.55 0.691 . . . . 1.0 110.082 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -56.14 -37.98 70.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.316 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -68.83 -41.17 78.91 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.385 -0.825 . . . . 1.0 109.8 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.12 -50.4 73.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.85 -40.18 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 1.0 109.874 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -61.24 -16.65 49.84 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.351 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.31 -44.36 4.38 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 108.763 -1.735 . . . . 1.0 108.763 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.23 -29.41 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 114.66 -0.77 . . . . 1.0 111.493 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 17' ' ' ARG . 7.6 p -53.83 -42.76 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 120.273 -0.571 . . . . 1.0 110.022 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 16' ' ' VAL . 18.6 tpp85 -69.19 -39.75 78.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.322 -0.854 . . . . 1.0 109.601 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.92 77.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.4 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 93.2 mtp -60.53 -57.66 11.79 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.02 0.438 . . . . 1.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.92 -40.26 97.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.28 -29.79 76.15 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.206 -1.158 . . . . 1.0 110.206 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 t -90.92 -17.18 26.85 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.515 -0.342 . . . . 1.0 111.206 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.43 -49.41 77.68 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.093 -0.243 . . . . 1.0 110.888 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 46.36 -168.17 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.262 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -110.43 133.42 53.29 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 1.0 110.291 -179.871 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.87 142.1 58.53 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -55.2 -28.53 53.68 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -37.0 84.33 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.212 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -60.72 -49.8 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.882 0.373 . . . . 1.0 110.109 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.68 -51.03 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.109 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.78 -42.04 91.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.483 0.659 . . . . 1.0 109.674 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.23 67.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -66.73 -43.44 84.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.479 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.28 -48.39 81.95 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.69 -39.77 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.817 -1.083 . . . . 1.0 109.642 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -21.73 62.75 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.57 -43.34 9.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 108.602 -1.799 . . . . 1.0 108.602 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.29 -39.85 64.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 114.484 -0.858 . . . . 1.0 111.461 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.69 -43.45 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 1.0 109.641 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 tpt85 -65.8 -38.86 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.727 -1.124 . . . . 1.0 109.591 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.85 96.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.39 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtm -61.73 -48.81 79.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.248 0.546 . . . . 1.0 110.671 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.99 -40.02 91.89 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.694 -0.854 . . . . 1.0 108.694 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.78 -26.48 73.82 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 114.592 -1.185 . . . . 1.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 p -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.836 0.35 . . . . 1.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.33 -45.51 93.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.542 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.16 103.85 0.26 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.672 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 53.0 90.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.863 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.102 -0.703 . . . . 1.0 109.102 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 56.71 163.13 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -79.45 0.64 28.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.929 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -44.23 97.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -61.45 -51.22 69.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 1.0 111.598 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.3 mp -64.43 -42.09 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.17 -50.92 72.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.879 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.3 -40.64 90.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 1.0 110.23 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.45 69.67 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.407 -0.815 . . . . 1.0 111.1 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.66 -42.56 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.053 0.454 . . . . 1.0 110.381 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.08 -51.74 66.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.161 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.44 -41.6 93.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.85 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.83 -21.53 63.34 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.831 -0.507 . . . . 1.0 111.831 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.9 -44.04 9.45 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.504 -1.838 . . . . 1.0 108.504 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -70.56 -42.0 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 114.421 -0.889 . . . . 1.0 111.189 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -54.07 -44.86 64.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.307 0.575 . . . . 1.0 109.909 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.7 -37.73 85.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.419 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.88 87.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.105 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.1 mtt -62.35 -53.05 60.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.42 0.628 . . . . 1.0 110.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.93 -39.25 93.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.951 -0.759 . . . . 1.0 108.951 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.68 91.75 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -66.07 -40.6 91.02 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.879 -0.786 . . . . 1.0 108.879 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.31 98.12 1.34 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.361 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.95 140.65 55.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.06 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -73.47 145.66 45.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.357 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.02 -0.99 . . . . 1.0 111.175 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -62.99 -45.65 91.41 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.082 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -64.45 -43.6 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.807 -0.812 . . . . 1.0 108.807 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.49 -49.64 75.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.72 . . . . 1.0 111.375 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.06 -42.87 99.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.386 0.613 . . . . 1.0 110.159 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.1 -43.97 70.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.219 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.49 -43.88 88.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.143 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -56.4 -50.59 71.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.689 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.83 -42.19 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 1.0 109.632 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.11 58.79 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.07 -44.17 5.45 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.538 -1.825 . . . . 1.0 108.538 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.93 -39.49 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 114.766 -0.717 . . . . 1.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.93 -43.59 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 120.352 -0.539 . . . . 1.0 110.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -66.52 -40.81 89.36 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.579 -0.737 . . . . 1.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.29 84.74 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.375 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.4 mtp -61.99 -55.37 30.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.221 0.534 . . . . 1.0 110.448 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.67 -39.85 95.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.294 0 N-CA-C 109.973 -1.251 . . . . 1.0 109.973 179.862 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 121.499 0.666 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.0 m -63.01 -42.91 99.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.87 -1.059 . . . . 1.0 109.482 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.6 mp -63.27 -43.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.74 -50.76 72.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.194 0.521 . . . . 1.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.64 -40.39 92.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.954 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.07 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.912 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.44 -44.3 91.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.779 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.67 -47.89 81.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.64 -40.64 92.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.878 -1.055 . . . . 1.0 109.268 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.04 63.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.38 -44.67 6.85 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.418 -1.873 . . . . 1.0 108.418 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.5 mt -70.27 -41.26 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 114.215 -0.993 . . . . 1.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.16 -44.3 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 121.143 0.497 . . . . 1.0 110.487 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.73 -38.92 84.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.276 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.1 93.52 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.879 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.95 -50.7 71.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.444 0.64 . . . . 1.0 110.917 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.9 -42.37 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.222 -0.899 . . . . 1.0 109.515 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.332 0 N-CA-C 109.919 -1.272 . . . . 1.0 109.919 179.562 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.069 -0.345 . . . . 1.0 110.069 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -61.31 -47.36 86.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.606 -0.27 . . . . 1.0 111.256 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.413 HD12 ' H ' ' A' ' 6' ' ' ILE . 4.4 mp -65.14 -43.28 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.69 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.173 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 -42.32 91.81 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.525 0.679 . . . . 1.0 109.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -42.11 67.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.485 0.66 . . . . 1.0 109.766 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -66.95 -40.12 87.43 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.8 -1.091 . . . . 1.0 110.043 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.43 -51.81 67.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.51 -41.07 85.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.24 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.07 -14.99 55.66 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.365 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.1 4.12 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 108.893 -1.683 . . . . 1.0 108.893 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.92 -30.2 31.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 114.901 -0.65 . . . . 1.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 17' ' ' ARG . 7.7 p -56.16 -43.14 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.624 0.726 . . . . 1.0 109.472 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' N ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -66.48 -41.55 88.8 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.717 -1.129 . . . . 1.0 108.983 178.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.41 82.49 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.633 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.2 mtt -60.72 -55.15 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 1.0 110.66 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.88 -41.72 99.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.038 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.353 0 N-CA-C 110.008 -1.237 . . . . 1.0 110.008 179.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.239 0.542 . . . . 1.0 111.069 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -61.7 -44.88 96.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -63.45 -43.53 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.11 -50.72 70.28 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.679 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.01 -41.66 95.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.545 0.688 . . . . 1.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.56 68.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.648 -0.706 . . . . 1.0 111.0 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.0 -43.9 86.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.97 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -56.87 -50.1 73.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.36 -38.61 85.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.137 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -15.58 39.64 Favored Glycine 0 CA--C 1.522 0.51 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.966 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.93 3.89 Favored Glycine 0 N--CA 1.473 1.103 0 N-CA-C 108.821 -1.711 . . . . 1.0 108.821 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.73 -30.36 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.619 -0.791 . . . . 1.0 110.882 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.05 -43.09 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.603 0.716 . . . . 1.0 109.202 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -41.64 93.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.029 -0.987 . . . . 1.0 108.893 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.36 79.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.543 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.1 mtt -61.84 -56.12 22.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.694 0.283 . . . . 1.0 111.206 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.33 -41.68 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.375 0 N-CA-C 109.934 -1.266 . . . . 1.0 109.934 179.364 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 120.675 0.274 . . . . 1.0 111.295 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -62.6 -44.34 96.54 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.124 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.0 mp -62.76 -44.47 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 108.44 -0.948 . . . . 1.0 108.44 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.42 -51.07 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.485 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -40.78 84.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.688 0.756 . . . . 1.0 109.374 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -40.74 76.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.754 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.16 -40.06 82.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.581 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.41 -50.91 70.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.88 -1.055 . . . . 1.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.05 54.88 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.917 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.41 -44.1 4.11 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 108.896 -1.682 . . . . 1.0 108.896 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.31 -32.43 42.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.009 -0.596 . . . . 1.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.2 -42.09 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.71 0.767 . . . . 1.0 109.61 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -41.24 88.24 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.93 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.58 74.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.808 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.5 mtt -60.06 -56.8 17.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.176 0.512 . . . . 1.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.82 -39.92 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.739 -0.838 . . . . 1.0 108.739 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 N-CA-C 109.901 -1.28 . . . . 1.0 109.901 179.494 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -62.91 -45.34 92.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.491 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -63.74 -43.72 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.55 -51.14 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.936 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.19 -41.56 90.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.531 0.681 . . . . 1.0 110.09 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.44 67.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -64.31 -43.47 94.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.017 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.86 -49.9 74.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.54 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.364 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.7 -15.7 62.43 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.04 -44.31 6.75 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.709 -1.757 . . . . 1.0 108.709 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -71.95 -40.56 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 114.902 -0.649 . . . . 1.0 110.498 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 p -54.15 -44.87 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.02 -0.672 . . . . 1.0 109.432 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -66.07 -37.42 85.75 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.807 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.37 81.92 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.115 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.8 mtt -60.2 -55.74 30.04 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.405 0.621 . . . . 1.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.08 -38.01 87.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.419 -0.809 . . . . 1.0 108.919 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.324 0 N-CA-C 109.665 -1.374 . . . . 1.0 109.665 179.098 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.468 0.175 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -60.48 -47.62 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.777 -0.192 . . . . 1.0 111.374 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.56 -42.84 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.556 -0.535 . . . . 1.0 109.556 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.32 -49.15 78.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.169 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 tp -65.43 -42.32 92.59 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.08 66.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -67.21 -42.94 83.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.555 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.72 -48.53 81.37 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.047 -0.723 . . . . 1.0 109.047 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.66 -40.82 96.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.308 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.02 60.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.394 -0.682 . . . . 1.0 111.394 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.65 -44.43 12.7 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 108.884 -1.686 . . . . 1.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.5 mt -72.28 -41.08 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 114.389 -0.906 . . . . 1.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 17' ' ' ARG . 1.4 p -54.34 -48.78 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.2 0.524 . . . . 1.0 109.619 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 12.2 tpt180 -62.14 -38.38 88.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.785 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.89 99.34 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.85 0.357 . . . . 1.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.5 mtp -65.47 -55.57 17.16 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.67 -39.24 93.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.451 0 N-CA-C 109.905 -1.278 . . . . 1.0 109.905 179.336 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -60.82 -43.81 97.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.365 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -62.49 -42.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.02 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.44 -41.99 88.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.55 0.691 . . . . 1.0 110.082 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -56.14 -37.98 70.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.316 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -68.83 -41.17 78.91 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.385 -0.825 . . . . 1.0 109.8 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.12 -50.4 73.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.85 -40.18 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 1.0 109.874 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -61.24 -16.65 49.84 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.351 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.31 -44.36 4.38 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 108.763 -1.735 . . . . 1.0 108.763 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.23 -29.41 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 114.66 -0.77 . . . . 1.0 111.493 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 17' ' ' ARG . 7.6 p -53.83 -42.76 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 120.273 -0.571 . . . . 1.0 110.022 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 16' ' ' VAL . 18.6 tpp85 -69.19 -39.75 78.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.322 -0.854 . . . . 1.0 109.601 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.92 77.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.4 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 93.2 mtp -60.53 -57.66 11.79 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.02 0.438 . . . . 1.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.92 -40.26 97.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 110.206 -1.158 . . . . 1.0 110.206 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 110.212 -0.292 . . . . 1.0 110.212 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -60.72 -49.8 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.882 0.373 . . . . 1.0 110.109 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.68 -51.03 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.109 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.78 -42.04 91.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.483 0.659 . . . . 1.0 109.674 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.23 67.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -66.73 -43.44 84.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.479 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.28 -48.39 81.95 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.69 -39.77 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.817 -1.083 . . . . 1.0 109.642 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -21.73 62.75 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.57 -43.34 9.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 108.602 -1.799 . . . . 1.0 108.602 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.29 -39.85 64.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 114.484 -0.858 . . . . 1.0 111.461 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.69 -43.45 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 1.0 109.641 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 tpt85 -65.8 -38.86 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.727 -1.124 . . . . 1.0 109.591 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.85 96.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.39 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtm -61.73 -48.81 79.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.248 0.546 . . . . 1.0 110.671 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.99 -40.02 91.89 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.694 -0.854 . . . . 1.0 108.694 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 CA-C-N 114.592 -1.185 . . . . 1.0 110.18 179.326 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 110.281 -0.266 . . . . 1.0 110.281 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -61.45 -51.22 69.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 1.0 111.598 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.47 HD12 ' H ' ' A' ' 6' ' ' ILE . 4.3 mp -64.43 -42.09 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.17 -50.92 72.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.879 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.3 -40.64 90.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 1.0 110.23 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.45 69.67 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.407 -0.815 . . . . 1.0 111.1 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.66 -42.56 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.053 0.454 . . . . 1.0 110.381 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.08 -51.74 66.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.161 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.44 -41.6 93.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.85 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.83 -21.53 63.34 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.831 -0.507 . . . . 1.0 111.831 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.9 -44.04 9.45 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.504 -1.838 . . . . 1.0 108.504 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -70.56 -42.0 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 114.421 -0.889 . . . . 1.0 111.189 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -54.07 -44.86 64.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.307 0.575 . . . . 1.0 109.909 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.7 -37.73 85.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.419 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.88 87.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.105 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.1 mtt -62.35 -53.05 60.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.42 0.628 . . . . 1.0 110.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.93 -39.25 93.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.951 -0.759 . . . . 1.0 108.951 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.386 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 4' ' ' TYR . 67.9 mttm -67.84 -12.8 61.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.34 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 64.07 -12.63 0.1 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.597 0.56 . . . . 1.0 110.986 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.579 ' H ' ' C ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -78.06 -13.0 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -62.99 -45.65 91.41 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.082 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -64.45 -43.6 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 108.807 -0.812 . . . . 1.0 108.807 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.49 -49.64 75.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.72 . . . . 1.0 111.375 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.06 -42.87 99.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.386 0.613 . . . . 1.0 110.159 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.1 -43.97 70.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.219 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.49 -43.88 88.83 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.143 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -56.4 -50.59 71.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.689 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.83 -42.19 95.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.545 -0.752 . . . . 1.0 109.632 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 -13.11 58.79 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.07 -44.17 5.45 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 108.538 -1.825 . . . . 1.0 108.538 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.93 -39.49 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 114.766 -0.717 . . . . 1.0 110.792 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.93 -43.59 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 120.352 -0.539 . . . . 1.0 110.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -66.52 -40.81 89.36 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.579 -0.737 . . . . 1.0 109.589 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -40.29 84.74 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.375 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 94.4 mtp -61.99 -55.37 30.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.221 0.534 . . . . 1.0 110.448 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.67 -39.85 95.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.11 -27.25 68.64 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.973 -1.251 . . . . 1.0 109.973 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -62.0 -42.91 99.67 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -92.67 120.97 33.62 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.325 -0.852 . . . . 1.0 109.596 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -96.32 140.75 30.54 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.594 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -62.75 -38.92 92.43 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.317 -0.849 . . . . 1.0 110.076 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtp . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.71 -78.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.878 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -161.48 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 109.868 -0.419 . . . . 1.0 109.868 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -63.45 -27.12 69.07 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.499 0.666 . . . . 1.0 109.241 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.0 m -63.01 -42.91 99.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.87 -1.059 . . . . 1.0 109.482 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.6 mp -63.27 -43.46 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.173 -0.677 . . . . 1.0 109.173 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.74 -50.76 72.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.194 0.521 . . . . 1.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.64 -40.39 92.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.954 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.07 72.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.912 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -64.44 -44.3 91.56 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.779 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.67 -47.89 81.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.64 -40.64 92.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.878 -1.055 . . . . 1.0 109.268 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.59 -18.04 63.13 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.38 -44.67 6.85 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 108.418 -1.873 . . . . 1.0 108.418 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.5 mt -70.27 -41.26 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 114.215 -0.993 . . . . 1.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.16 -44.3 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 121.143 0.497 . . . . 1.0 110.487 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.73 -38.92 84.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.276 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.1 93.52 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.879 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 90.4 mtp -61.95 -50.7 71.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.444 0.64 . . . . 1.0 110.917 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.9 -42.37 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.222 -0.899 . . . . 1.0 109.515 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.85 -33.17 85.02 Favored Glycine 0 C--N 1.32 -0.332 0 N-CA-C 109.919 -1.272 . . . . 1.0 109.919 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -73.72 -27.5 61.23 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.177 -0.511 . . . . 1.0 111.096 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.4 -46.94 87.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.096 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -102.88 139.84 37.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.901 0.381 . . . . 1.0 110.762 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.77 -42.46 97.78 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.424 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.87 138.11 55.79 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.15 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -63.39 -23.61 67.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 1.0 109.654 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.82 -43.08 98.68 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.296 -0.865 . . . . 1.0 110.069 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -61.31 -47.36 86.31 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.606 -0.27 . . . . 1.0 111.256 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.413 HD12 ' H ' ' A' ' 6' ' ' ILE . 4.4 mp -65.14 -43.28 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.69 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.173 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.59 -42.32 91.81 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.525 0.679 . . . . 1.0 109.666 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -42.11 67.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.485 0.66 . . . . 1.0 109.766 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -66.95 -40.12 87.43 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.8 -1.091 . . . . 1.0 110.043 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.43 -51.81 67.9 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.51 -41.07 85.06 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.24 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.07 -14.99 55.66 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.365 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.1 4.12 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 108.893 -1.683 . . . . 1.0 108.893 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.92 -30.2 31.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 114.901 -0.65 . . . . 1.0 111.058 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 17' ' ' ARG . 7.7 p -56.16 -43.14 75.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 121.624 0.726 . . . . 1.0 109.472 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' N ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -66.48 -41.55 88.8 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.717 -1.129 . . . . 1.0 108.983 178.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.41 82.49 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.633 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.2 mtt -60.72 -55.15 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 1.0 110.66 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.88 -41.72 99.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.484 -0.78 . . . . 1.0 109.038 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.23 -27.75 72.76 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.008 -1.237 . . . . 1.0 110.008 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -85.23 -14.26 47.32 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.367 -0.416 . . . . 1.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 71.4 t80 -75.91 47.89 0.45 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.52 0.676 . . . . 1.0 110.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.16 -172.92 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.474 -0.784 . . . . 1.0 110.934 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.2 142.95 57.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.889 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.95 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.42 -0.585 . . . . 1.0 109.42 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.97 143.35 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.573 -0.74 . . . . 1.0 112.464 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -72.24 -35.05 68.73 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.654 -0.703 . . . . 1.0 112.062 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -16.32 0.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.239 0.542 . . . . 1.0 111.069 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.6 m -61.7 -44.88 96.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -63.45 -43.53 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.098 -0.705 . . . . 1.0 109.098 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.11 -50.72 70.28 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.679 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.01 -41.66 95.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.545 0.688 . . . . 1.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -41.56 68.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.648 -0.706 . . . . 1.0 111.0 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.0 -43.9 86.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.97 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -56.87 -50.1 73.49 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.36 -38.61 85.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.137 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.43 -15.58 39.64 Favored Glycine 0 CA--C 1.522 0.51 0 CA-C-N 115.342 -0.845 . . . . 1.0 111.966 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.39 -44.93 3.89 Favored Glycine 0 N--CA 1.473 1.103 0 N-CA-C 108.821 -1.711 . . . . 1.0 108.821 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -71.73 -30.36 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.619 -0.791 . . . . 1.0 110.882 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.05 -43.09 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.603 0.716 . . . . 1.0 109.202 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -41.64 93.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.029 -0.987 . . . . 1.0 108.893 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.36 79.18 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.543 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 46.1 mtt -61.84 -56.12 22.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.694 0.283 . . . . 1.0 111.206 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.33 -41.68 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.59 -31.06 79.63 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 109.934 -1.266 . . . . 1.0 109.934 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.7 m -85.79 -28.81 24.28 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.467 -0.367 . . . . 1.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' LYS . 67.8 t80 -60.33 -45.92 91.72 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.176 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -64.73 77.52 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.082 0.468 . . . . 1.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' PHE . 64.0 tttm -63.38 -41.04 98.77 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.881 -0.6 . . . . 1.0 109.932 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.007 -0.997 . . . . 1.0 111.131 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 108.785 -0.82 . . . . 1.0 108.785 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.0 151.49 45.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -65.09 -42.51 94.0 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.902 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -62.22 -18.14 60.26 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 120.849 -0.34 . . . . 1.0 111.295 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -62.6 -44.34 96.54 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.124 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.0 mp -62.76 -44.47 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 108.44 -0.948 . . . . 1.0 108.44 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.42 -51.07 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.485 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -40.78 84.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.688 0.756 . . . . 1.0 109.374 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 -40.74 76.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.754 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -68.16 -40.06 82.45 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 1.0 109.581 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.41 -50.91 70.94 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.13 -39.85 86.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.88 -1.055 . . . . 1.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.04 -14.05 54.88 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.917 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.41 -44.1 4.11 Favored Glycine 0 N--CA 1.47 0.955 0 N-CA-C 108.896 -1.682 . . . . 1.0 108.896 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.31 -32.43 42.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.009 -0.596 . . . . 1.0 110.665 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.2 -42.09 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.71 0.767 . . . . 1.0 109.61 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -41.24 88.24 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.596 -1.184 . . . . 1.0 108.93 179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.58 74.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.808 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.5 mtt -60.06 -56.8 17.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.176 0.512 . . . . 1.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.82 -39.92 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.739 -0.838 . . . . 1.0 108.739 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.65 -33.9 88.02 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.901 -1.28 . . . . 1.0 109.901 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -81.44 -24.74 36.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.929 -0.635 . . . . 1.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -61.81 -43.05 99.61 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.765 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.7 97.35 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.16 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -124.93 104.35 8.54 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.327 -0.619 . . . . 1.0 109.327 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.33 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.3 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -63.6 145.53 55.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.995 0.426 . . . . 1.0 110.689 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -64.32 -27.98 69.4 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -21.06 18.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.1 m -62.91 -45.34 92.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.491 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -63.74 -43.72 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 108.876 -0.787 . . . . 1.0 108.876 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.55 -51.14 69.72 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.936 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.19 -41.56 90.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.531 0.681 . . . . 1.0 110.09 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.92 -45.44 67.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.879 -0.601 . . . . 1.0 111.038 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -64.31 -43.47 94.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.017 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.86 -49.9 74.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.54 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.91 -41.96 95.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.364 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.7 -15.7 62.43 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.294 -0.722 . . . . 1.0 111.294 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.04 -44.31 6.75 Favored Glycine 0 N--CA 1.467 0.738 0 N-CA-C 108.709 -1.757 . . . . 1.0 108.709 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -71.95 -40.56 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 114.902 -0.649 . . . . 1.0 110.498 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 p -54.15 -44.87 65.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.02 -0.672 . . . . 1.0 109.432 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -66.07 -37.42 85.75 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.807 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.37 81.92 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.115 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 53.8 mtt -60.2 -55.74 30.04 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.405 0.621 . . . . 1.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.08 -38.01 87.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.419 -0.809 . . . . 1.0 108.919 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.34 -34.56 90.29 Favored Glycine 0 N--CA 1.461 0.324 0 N-CA-C 109.665 -1.374 . . . . 1.0 109.665 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.099 0.476 . . . . 1.0 109.953 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.86 81.95 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.653 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -112.18 153.5 26.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.28 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -65.28 145.3 56.4 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.739 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.635 -179.629 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -70.08 142.0 52.7 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.336 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -65.1 -21.99 66.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.132 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.6 -38.79 91.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.534 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.5 m -60.48 -47.62 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.777 -0.192 . . . . 1.0 111.374 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.56 -42.84 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.556 -0.535 . . . . 1.0 109.556 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.32 -49.15 78.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.169 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 tp -65.43 -42.32 92.59 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.08 66.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -67.21 -42.94 83.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.555 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.72 -48.53 81.37 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.047 -0.723 . . . . 1.0 109.047 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.66 -40.82 96.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.308 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.91 -23.02 60.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.394 -0.682 . . . . 1.0 111.394 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.65 -44.43 12.7 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 108.884 -1.686 . . . . 1.0 108.884 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.5 mt -72.28 -41.08 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 114.389 -0.906 . . . . 1.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 17' ' ' ARG . 1.4 p -54.34 -48.78 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 121.2 0.524 . . . . 1.0 109.619 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 12.2 tpt180 -62.14 -38.38 88.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.785 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.89 99.34 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.85 0.357 . . . . 1.0 110.425 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.5 mtp -65.47 -55.57 17.16 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.67 -39.24 93.3 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 108.457 -0.942 . . . . 1.0 108.457 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.75 -29.22 74.66 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.905 -1.278 . . . . 1.0 109.905 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -87.96 -15.38 36.66 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.11 -0.545 . . . . 1.0 111.085 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -62.58 -42.55 99.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.734 0.302 . . . . 1.0 110.42 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -41.68 103.94 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.858 -0.61 . . . . 1.0 112.285 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.81 -45.51 89.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.034 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.995 -1.003 . . . . 1.0 109.838 179.545 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.7 141.14 55.39 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -58.67 -29.79 66.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.26 0.552 . . . . 1.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -37.19 85.29 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.313 -0.858 . . . . 1.0 109.674 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 m -60.82 -43.81 97.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.365 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -62.49 -42.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 109.041 -0.726 . . . . 1.0 109.041 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -60.02 -51.24 70.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.44 -41.99 88.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.55 0.691 . . . . 1.0 110.082 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -56.14 -37.98 70.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.316 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -68.83 -41.17 78.91 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.385 -0.825 . . . . 1.0 109.8 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.12 -50.4 73.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.85 -40.18 83.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 1.0 109.874 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -61.24 -16.65 49.84 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.351 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.31 -44.36 4.38 Favored Glycine 0 N--CA 1.47 0.952 0 N-CA-C 108.763 -1.735 . . . . 1.0 108.763 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.23 -29.41 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 114.66 -0.77 . . . . 1.0 111.493 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 17' ' ' ARG . 7.6 p -53.83 -42.76 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 120.273 -0.571 . . . . 1.0 110.022 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 16' ' ' VAL . 18.6 tpp85 -69.19 -39.75 78.48 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.322 -0.854 . . . . 1.0 109.601 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.92 77.01 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.4 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 93.2 mtp -60.53 -57.66 11.79 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.02 0.438 . . . . 1.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.92 -40.26 97.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.28 -29.79 76.15 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.206 -1.158 . . . . 1.0 110.206 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.3 t -90.92 -17.18 26.85 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.515 -0.342 . . . . 1.0 111.206 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.43 -49.41 77.68 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.093 -0.243 . . . . 1.0 110.888 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 46.36 -168.17 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.626 -0.261 . . . . 1.0 111.262 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -110.43 133.42 53.29 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.91 -1.043 . . . . 1.0 110.291 -179.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mtp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.87 142.1 58.53 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -55.2 -28.53 53.68 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -37.0 84.33 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.212 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -60.72 -49.8 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.618 0.229 . . . . 1.0 111.618 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.882 0.373 . . . . 1.0 110.109 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.68 -51.03 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.109 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.78 -42.04 91.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.483 0.659 . . . . 1.0 109.674 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.1 -38.23 67.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -66.73 -43.44 84.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.709 . . . . 1.0 109.479 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -60.28 -48.39 81.95 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.69 -39.77 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.817 -1.083 . . . . 1.0 109.642 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -21.73 62.75 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.6 -0.6 . . . . 1.0 111.6 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.57 -43.34 9.31 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 108.602 -1.799 . . . . 1.0 108.602 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.29 -39.85 64.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 114.484 -0.858 . . . . 1.0 111.461 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 p -53.69 -43.45 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 1.0 109.641 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.4 tpt85 -65.8 -38.86 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.727 -1.124 . . . . 1.0 109.591 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.85 96.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.422 -0.353 . . . . 1.0 111.39 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtm -61.73 -48.81 79.03 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.248 0.546 . . . . 1.0 110.671 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.99 -40.02 91.89 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.694 -0.854 . . . . 1.0 108.694 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.78 -26.48 73.82 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 114.592 -1.185 . . . . 1.0 110.18 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 p -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.836 0.35 . . . . 1.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.33 -45.51 93.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.542 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.16 103.85 0.26 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.672 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 53.0 90.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.863 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.102 -0.703 . . . . 1.0 109.102 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 56.71 163.13 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -79.45 0.64 28.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.929 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -44.23 97.19 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -61.45 -51.22 69.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 1.0 111.598 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.47 HD12 ' H ' ' A' ' 6' ' ' ILE . 4.3 mp -64.43 -42.09 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.17 -50.92 72.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.879 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.3 -40.64 90.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 1.0 110.23 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.45 69.67 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.407 -0.815 . . . . 1.0 111.1 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.66 -42.56 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.053 0.454 . . . . 1.0 110.381 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -56.08 -51.74 66.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.161 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.44 -41.6 93.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.85 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.83 -21.53 63.34 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.831 -0.507 . . . . 1.0 111.831 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.9 -44.04 9.45 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.504 -1.838 . . . . 1.0 108.504 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -70.56 -42.0 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 114.421 -0.889 . . . . 1.0 111.189 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 p -54.07 -44.86 64.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.307 0.575 . . . . 1.0 109.909 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.7 -37.73 85.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.419 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -38.88 87.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.105 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.1 mtt -62.35 -53.05 60.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.42 0.628 . . . . 1.0 110.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.93 -39.25 93.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.951 -0.759 . . . . 1.0 108.951 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.68 91.75 Favored Glycine 0 N--CA 1.462 0.386 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.3 t -66.07 -40.6 91.02 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.879 -0.786 . . . . 1.0 108.879 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.31 98.12 1.34 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.361 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.95 140.65 55.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.06 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -73.47 145.66 45.52 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.357 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.02 -0.99 . . . . 1.0 111.175 179.905 . . . . . . . . 0 0 . 1 stop_ save_